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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21N5O3
Molecular Weight 331.3696
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid, (3R,4R)-

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC(O)=O

InChI

InChIKey=NMGRKBVNLVHWSQ-PWSUYJOCSA-N
InChI=1S/C16H21N5O3/c1-10-4-6-21(13(22)7-14(23)24)8-12(10)20(2)16-11-3-5-17-15(11)18-9-19-16/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,23,24)(H,17,18,19)/t10-,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid
Preferred Name English
4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid, (3R,4R)-
Systematic Name English
1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-, (3R,4R)-
Systematic Name English
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
91810737
Created by admin on Wed Apr 02 20:31:19 GMT 2025 , Edited by admin on Wed Apr 02 20:31:19 GMT 2025
PRIMARY
CAS
2328165-36-0
Created by admin on Wed Apr 02 20:31:19 GMT 2025 , Edited by admin on Wed Apr 02 20:31:19 GMT 2025
PRIMARY
FDA UNII
2HK2XY59GU
Created by admin on Wed Apr 02 20:31:19 GMT 2025 , Edited by admin on Wed Apr 02 20:31:19 GMT 2025
PRIMARY