(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid

C14H15N3O4 — CID 107821874

IUPAC(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H15N3O4/c18-9-6-12(14(20)21)16-13(19)10-2-4-11(5-3-10)17-8-1-7-15-17/h1-5,7-8,12,18H,6,9H2,(H,16,19)(H,20,21)/t12-/m0/s1
InChIKeyYZZLHLDGQJHYOZ-LBPRGKRZSA-N
MW289.29 g/mol
LogP0.44
Rot. Bonds6

About (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid (PubChem CID 107821874) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
PubChem CID107821874
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H15N3O4/c18-9-6-12(14(20)21)16-13(19)10-2-4-11(5-3-10)17-8-1-7-15-17/h1-5,7-8,12,18H,6,9H2,(H,16,19)(H,20,21)/t12-/m0/s1
InChIKeyYZZLHLDGQJHYOZ-LBPRGKRZSA-N
XLogP0.44
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
2-[[4-(triazol-1-yl)benzoyl]amino]hexanedioic acid
CID 135367151
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid (CID 107821874) is (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid is O=C(N[C@@H](CCO)C(=O)O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid?
The InChIKey is YZZLHLDGQJHYOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-9-6-12(14(20)21)16-13(19)10-2-4-11(5-3-10)17-8-1-7-15-17/h1-5,7-8,12,18H,6,9H2,(H,16,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 107821874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).