(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid

C15H17N3O3 — CID 119367836

IUPAC(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)n1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-10(2)18-9-8-12(17-18)14(19)16-13(15(20)21)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,16,19)(H,20,21)/t13-/m1/s1
InChIKeyFSRMKQFUIJMMKL-CYBMUJFWSA-N
MW287.32 g/mol
LogP2.02
Rot. Bonds5

About (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid

(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 119367836) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID119367836
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)n1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-10(2)18-9-8-12(17-18)14(19)16-13(15(20)21)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,16,19)(H,20,21)/t13-/m1/s1
InChIKeyFSRMKQFUIJMMKL-CYBMUJFWSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143866
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
2-[[1-(4-bromophenyl)pyrazole-3-carbonyl]amino]-2-phenylacetic acid
CID 154877134
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
3-(4-fluorophenyl)-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119169568
2-benzyl-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119233443
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 95979997
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
CID 122151920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (CID 119367836) is (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is CC(C)n1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)n1.
What is the InChIKey of (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is FSRMKQFUIJMMKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(2)18-9-8-12(17-18)14(19)16-13(15(20)21)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,16,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119367836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).