(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid

C10H11N3O2 — CID 83191619

IUPAC(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
SMILESC[C@H](NCc1cccnc1C#N)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-7(10(14)15)13-6-8-3-2-4-12-9(8)5-11/h2-4,7,13H,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyLEFSSKQJYDHQKV-ZETCQYMHSA-N
MW205.22 g/mol
LogP0.52
Rot. Bonds4

About (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid

(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid (PubChem CID 83191619) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
PubChem CID83191619
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
SMILESC[C@H](NCc1cccnc1C#N)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-7(10(14)15)13-6-8-3-2-4-12-9(8)5-11/h2-4,7,13H,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyLEFSSKQJYDHQKV-ZETCQYMHSA-N
XLogP0.52
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
methyl 2-[(2-cyano-3-pyridinyl)methylamino]-2-phenylacetate
CID 62893726
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
3-[(heptan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 62895575
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]pyridine-2-carbonitrile
CID 66090692
3-[(2-cyano-3-pyridinyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65264867
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]pyridine-2-carbonitrile
CID 81364964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
The IUPAC name of (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid (CID 83191619) is (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid is C[C@H](NCc1cccnc1C#N)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
The InChIKey is LEFSSKQJYDHQKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(10(14)15)13-6-8-3-2-4-12-9(8)5-11/h2-4,7,13H,6H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 83191619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).