Ethyl 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate oxalate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H21NO5.C2H2O4
Molecular Weight	349.3337
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate oxalate

Structure Search

SMILES

OC(=O)C(O)=O.CCOC(=O)CO[C@H]1C[C@@H](N)[C@@H]2OC(C)(C)O[C@H]12

InChI

InChIKey=CPUUHMGQFFBUMG-GGTINJKKSA-N

InChI=1S/C12H21NO5.C2H2O4/c1-4-15-9(14)6-16-8-5-7(13)10-11(8)18-12(2,3)17-10;3-1(4)2(5)6/h7-8,10-11H,4-6,13H2,1-3H3;(H,3,4)(H,5,6)/t7-,8+,10+,11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C12H21NO5
Molecular Weight	259.2988
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:19:29 GMT 2025` Edited by `admin` on `Wed Apr 02 20:19:29 GMT 2025`
Record UNII	22LMC297UZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate oxalate

Systematic Name

English

Acetic acid, 2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester, ethanedioate (1:1)

Preferred Name

English

Code System Code Type Description

FDA UNII

22LMC297UZ

Created by admin on Wed Apr 02 20:19:29 GMT 2025 , Edited by admin on Wed Apr 02 20:19:29 GMT 2025

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CAS

1402149-98-7

Created by admin on Wed Apr 02 20:19:29 GMT 2025 , Edited by admin on Wed Apr 02 20:19:29 GMT 2025

PRIMARY

PUBCHEM

121596125

Created by admin on Wed Apr 02 20:19:29 GMT 2025 , Edited by admin on Wed Apr 02 20:19:29 GMT 2025

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Ethyl 2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]acetate

PARENT -> SALT/SOLVATE

Amount: