U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18N2O4.ClH
Molecular Weight 254.711
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-ALANINE METHYL ESTER HYDROCHLORIDE

SMILES

Cl.COC(=O)[C@H](CN)NC(=O)OC(C)(C)C

InChI

InChIKey=IKRXWXBVGWAKNK-RGMNGODLSA-N
InChI=1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BOC-DAP-OME HYDROCHLORIDE
Preferred Name English
3-AMINO-N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-ALANINE METHYL ESTER HYDROCHLORIDE
Systematic Name English
L-ALANINE, 3-AMINO-N-((1,1-DIMETHYLETHOXY)CARBONYL)-, METHYL ESTER MONOHYDROCHLORIDE
Systematic Name English
(S)-METHYL 3-AMINO-2-((TERT-BUTOXYCARBONYL)AMINO)PROPANOATE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
181228-33-1
Created by admin on Wed Apr 02 10:15:28 GMT 2025 , Edited by admin on Wed Apr 02 10:15:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID60856186
Created by admin on Wed Apr 02 10:15:28 GMT 2025 , Edited by admin on Wed Apr 02 10:15:28 GMT 2025
PRIMARY
PUBCHEM
71607207
Created by admin on Wed Apr 02 10:15:28 GMT 2025 , Edited by admin on Wed Apr 02 10:15:28 GMT 2025
PRIMARY
FDA UNII
YA59RGK6XG
Created by admin on Wed Apr 02 10:15:28 GMT 2025 , Edited by admin on Wed Apr 02 10:15:28 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966