(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid

C13H12ClN3O3 — CID 107314362

IUPAC(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESCc1[nH]ncc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H12ClN3O3/c1-7-9(6-15-17-7)12(18)16-11(13(19)20)8-4-2-3-5-10(8)14/h2-6,11H,1H3,(H,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyXAKQDQYZYDBSMR-LLVKDONJSA-N
MW293.71 g/mol
LogP1.93
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid (PubChem CID 107314362) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
PubChem CID107314362
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESCc1[nH]ncc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H12ClN3O3/c1-7-9(6-15-17-7)12(18)16-11(13(19)20)8-4-2-3-5-10(8)14/h2-6,11H,1H3,(H,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyXAKQDQYZYDBSMR-LLVKDONJSA-N
XLogP1.93
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid with MolForge

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(3-hydroxypyridine-4-carbonyl)amino]acetic acid
CID 107314458
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250
3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 107046486
(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 107314268
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
(2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 104983134
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107314767
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid (CID 107314362) is (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid is Cc1[nH]ncc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is XAKQDQYZYDBSMR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-7-9(6-15-17-7)12(18)16-11(13(19)20)8-4-2-3-5-10(8)14/h2-6,11H,1H3,(H,15,17)(H,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 293.71 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 107314362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).