(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid

C9H9N3O2 — CID 130672000

IUPAC(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
SMILESN#Cc1ccncc1C[C@H](N)C(=O)O
InChIInChI=1S/C9H9N3O2/c10-4-6-1-2-12-5-7(6)3-8(11)9(13)14/h1-2,5,8H,3,11H2,(H,13,14)/t8-/m0/s1
InChIKeyVFECHSLXZMQGPM-QMMMGPOBSA-N
MW191.19 g/mol
LogP-0.09
Rot. Bonds3

About (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid

(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid (PubChem CID 130672000) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
PubChem CID130672000
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
SMILESN#Cc1ccncc1C[C@H](N)C(=O)O
InChIInChI=1S/C9H9N3O2/c10-4-6-1-2-12-5-7(6)3-8(11)9(13)14/h1-2,5,8H,3,11H2,(H,13,14)/t8-/m0/s1
InChIKeyVFECHSLXZMQGPM-QMMMGPOBSA-N
XLogP-0.09
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
2-amino-3-(3-chloro-4-cyanophenyl)propanoic acid;hydrochloride
CID 129164688
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
2-amino-3-(5-cyano-2-nitrophenyl)propanoic acid
CID 141330960
2-amino-3-(3-cyano-4-hydroxy-5-methylphenyl)propanoic acid
CID 117313878
2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
CID 138991408
CID 70476310
CID 70476310
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid (CID 130672000) is (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid is N#Cc1ccncc1C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid?
The InChIKey is VFECHSLXZMQGPM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-6-1-2-12-5-7(6)3-8(11)9(13)14/h1-2,5,8H,3,11H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid?
(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid has a molecular weight of 191.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid is sourced from PubChem (CID 130672000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).