methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate

C14H15N3O4 — CID 9277876

IUPACmethyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H15N3O4/c1-21-14(20)12(9-18)16-13(19)10-3-5-11(6-4-10)17-8-2-7-15-17/h2-8,12,18H,9H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeySXXALYPTFHKGSF-LBPRGKRZSA-N
MW289.29 g/mol
LogP0.14
Rot. Bonds5

About methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate

methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate (PubChem CID 9277876) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
PubChem CID9277876
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H15N3O4/c1-21-14(20)12(9-18)16-13(19)10-3-5-11(6-4-10)17-8-2-7-15-17/h2-8,12,18H,9H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeySXXALYPTFHKGSF-LBPRGKRZSA-N
XLogP0.14
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 107821874
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026
methyl (2S)-3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 122460427
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
methyl 3-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]propanoate
CID 43407091
methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993
N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437
methyl 2-[(4-ethynylbenzoyl)amino]-3-hydroxypropanoate
CID 123386336
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate (CID 9277876) is methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate is COC(=O)[C@H](CO)NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The InChIKey is SXXALYPTFHKGSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-14(20)12(9-18)16-13(19)10-3-5-11(6-4-10)17-8-2-7-15-17/h2-8,12,18H,9H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate has a molecular weight of 289.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 9277876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).