(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid

C9H9N3O2 — CID 127019845

IUPAC(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
SMILESN#Cc1ncccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C9H9N3O2/c10-5-8-6(2-1-3-12-8)4-7(11)9(13)14/h1-3,7H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyQZOMLJIJFFBNPC-SSDOTTSWSA-N
MW191.19 g/mol
LogP-0.09
Rot. Bonds3

About (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid

(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid (PubChem CID 127019845) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
PubChem CID127019845
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
SMILESN#Cc1ncccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C9H9N3O2/c10-5-8-6(2-1-3-12-8)4-7(11)9(13)14/h1-3,7H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyQZOMLJIJFFBNPC-SSDOTTSWSA-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

2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
2-amino-2-(2-cyano-3-pyridinyl)acetic acid
CID 83874641
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
2-[(2-cyano-3-pyridinyl)methylsulfanyl]-3-phenylpropanoic acid
CID 62890301
(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
CID 130672000
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid (CID 127019845) is (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid is N#Cc1ncccc1C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid?
The InChIKey is QZOMLJIJFFBNPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-5-8-6(2-1-3-12-8)4-7(11)9(13)14/h1-3,7H,4,11H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid?
(2R)-2-amino-3-(2-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 (2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid is sourced from PubChem (CID 127019845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).