(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid

C13H14N4O3 — CID 61206380

IUPAC(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
SMILESCn1ccc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C13H14N4O3/c1-17-8-7-10(16-17)14-13(20)15-11(12(18)19)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,18,19)(H2,14,15,16,20)/t11-/m1/s1
InChIKeyGLUQJXJKHNNPOL-LLVKDONJSA-N
MW274.28 g/mol
LogP1.37
Rot. Bonds4

About (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid

(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid (PubChem CID 61206380) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
PubChem CID61206380
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
SMILESCn1ccc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C13H14N4O3/c1-17-8-7-10(16-17)14-13(20)15-11(12(18)19)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,18,19)(H2,14,15,16,20)/t11-/m1/s1
InChIKeyGLUQJXJKHNNPOL-LLVKDONJSA-N
XLogP1.37
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
CID 95322287
N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 31844726
N-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
CID 42897384
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
CID 61465850
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
1-[1-(3,4-difluorophenyl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 78834721
2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 24501980
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid (CID 61206380) is (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid is Cn1ccc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is GLUQJXJKHNNPOL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-8-7-10(16-17)14-13(20)15-11(12(18)19)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,18,19)(H2,14,15,16,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid?
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).