2-amino-2-(2-cyano-3-pyridinyl)acetic acid

C8H7N3O2 — CID 83874641

IUPAC2-amino-2-(2-cyano-3-pyridinyl)acetic acid
SMILESN#Cc1ncccc1C(N)C(=O)O
InChIInChI=1S/C8H7N3O2/c9-4-6-5(2-1-3-11-6)7(10)8(12)13/h1-3,7H,10H2,(H,12,13)
InChIKeyQWYPEKFSSQHURZ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.04
Rot. Bonds2

About 2-amino-2-(2-cyano-3-pyridinyl)acetic acid

2-amino-2-(2-cyano-3-pyridinyl)acetic acid (PubChem CID 83874641) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-2-(2-cyano-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-cyano-3-pyridinyl)acetic acid
PubChem CID83874641
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-amino-2-(2-cyano-3-pyridinyl)acetic acid
SMILESN#Cc1ncccc1C(N)C(=O)O
InChIInChI=1S/C8H7N3O2/c9-4-6-5(2-1-3-11-6)7(10)8(12)13/h1-3,7H,10H2,(H,12,13)
InChIKeyQWYPEKFSSQHURZ-UHFFFAOYSA-N
XLogP0.04
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyano-3-pyridinyl)-3-methylbutanoic acid
CID 83881858
3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 55269011
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
CID 130701472
2-amino-2-furo[3,2-b]pyridin-3-ylacetic acid
CID 84772218
3-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-2-carbonitrile
CID 170819530
S-[3-(2-cyano-3-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821588
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
CID 55272286
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-cyano-3-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(2-cyano-3-pyridinyl)acetic acid (CID 83874641) is 2-amino-2-(2-cyano-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-cyano-3-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-cyano-3-pyridinyl)acetic acid is N#Cc1ncccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-cyano-3-pyridinyl)acetic acid?
The InChIKey is QWYPEKFSSQHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-4-6-5(2-1-3-11-6)7(10)8(12)13/h1-3,7H,10H2,(H,12,13).
What are the key properties of 2-amino-2-(2-cyano-3-pyridinyl)acetic acid?
2-amino-2-(2-cyano-3-pyridinyl)acetic acid has a molecular weight of 177.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-cyano-3-pyridinyl)acetic acid is sourced from PubChem (CID 83874641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).