2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid

C18H21N3O4 — CID 120547937

IUPAC2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCc1cnn(-c2ccc(C(=O)NC(C(=O)O)C3CCCOC3)cc2)c1
InChIInChI=1S/C18H21N3O4/c1-12-9-19-21(10-12)15-6-4-13(5-7-15)17(22)20-16(18(23)24)14-3-2-8-25-11-14/h4-7,9-10,14,16H,2-3,8,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyGZUCAWKZGHHIBS-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.79
Rot. Bonds5

About 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid

2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547937) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547937
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCc1cnn(-c2ccc(C(=O)NC(C(=O)O)C3CCCOC3)cc2)c1
InChIInChI=1S/C18H21N3O4/c1-12-9-19-21(10-12)15-6-4-13(5-7-15)17(22)20-16(18(23)24)14-3-2-8-25-11-14/h4-7,9-10,14,16H,2-3,8,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyGZUCAWKZGHHIBS-UHFFFAOYSA-N
XLogP1.79
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
(2R)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467866
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548176
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
2-[(4-cyclohexylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548745
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547769
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547481
2-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547588

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547937) is 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid is Cc1cnn(-c2ccc(C(=O)NC(C(=O)O)C3CCCOC3)cc2)c1.
What is the InChIKey of 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is GZUCAWKZGHHIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-9-19-21(10-12)15-6-4-13(5-7-15)17(22)20-16(18(23)24)14-3-2-8-25-11-14/h4-7,9-10,14,16H,2-3,8,11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 343.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).