(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C13H17N3O4 — CID 68812487

IUPAC(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCN[C@@H](C)C(=O)Nc1ccc2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C13H17N3O4/c1-7(14-2)11(17)15-9-5-3-8-4-6-10(13(19)20)16(8)12(9)18/h3,5,7,10,14H,4,6H2,1-2H3,(H,15,17)(H,19,20)/t7-,10-/m0/s1
InChIKeyLNQPVFDZRKJWHO-XVKPBYJWSA-N
MW279.30 g/mol
LogP-0.03
Rot. Bonds4

About (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 68812487) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID68812487
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCN[C@@H](C)C(=O)Nc1ccc2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C13H17N3O4/c1-7(14-2)11(17)15-9-5-3-8-4-6-10(13(19)20)16(8)12(9)18/h3,5,7,10,14H,4,6H2,1-2H3,(H,15,17)(H,19,20)/t7-,10-/m0/s1
InChIKeyLNQPVFDZRKJWHO-XVKPBYJWSA-N
XLogP-0.03
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 68812487) is (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is CN[C@@H](C)C(=O)Nc1ccc2n(c1=O)[C@H](C(=O)O)CC2.
What is the InChIKey of (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is LNQPVFDZRKJWHO-XVKPBYJWSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-7(14-2)11(17)15-9-5-3-8-4-6-10(13(19)20)16(8)12(9)18/h3,5,7,10,14H,4,6H2,1-2H3,(H,15,17)(H,19,20)/t7-,10-/m0/s1.
What are the key properties of (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 68812487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).