(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid

C14H12ClN3O3 — CID 107315066

IUPAC(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESNc1cccnc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O3/c15-9-5-2-1-4-8(9)11(14(20)21)18-13(19)12-10(16)6-3-7-17-12/h1-7,11H,16H2,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyGGYGOFDJURBWHX-LLVKDONJSA-N
MW305.72 g/mol
LogP1.87
Rot. Bonds4

About (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315066) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315066
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESNc1cccnc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O3/c15-9-5-2-1-4-8(9)11(14(20)21)18-13(19)12-10(16)6-3-7-17-12/h1-7,11H,16H2,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyGGYGOFDJURBWHX-LLVKDONJSA-N
XLogP1.87
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 107314268
(2R)-2-(2-chlorophenyl)-2-[(3-hydroxypyridine-4-carbonyl)amino]acetic acid
CID 107314458
(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107314545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid (CID 107315066) is (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid is Nc1cccnc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is GGYGOFDJURBWHX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-9-5-2-1-4-8(9)11(14(20)21)18-13(19)12-10(16)6-3-7-17-12/h1-7,11H,16H2,(H,18,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 305.72 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).