1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H16N2O4 — CID 82760450

IUPAC1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2(C)C(=O)O)on1
InChIInChI=1S/C12H16N2O4/c1-7-6-8(18-14-7)10(15)13-9-4-3-5-12(9,2)11(16)17/h6,9H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLQUFDLBQFWDJIT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.36
Rot. Bonds3

About 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82760450) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82760450
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2(C)C(=O)O)on1
InChIInChI=1S/C12H16N2O4/c1-7-6-8(18-14-7)10(15)13-9-4-3-5-12(9,2)11(16)17/h6,9H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLQUFDLBQFWDJIT-UHFFFAOYSA-N
XLogP1.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic 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

1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760116
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214662
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289960
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214512
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759937
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61292644

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 82760450) is 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCC2(C)C(=O)O)on1.
What is the InChIKey of 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LQUFDLBQFWDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-6-8(18-14-7)10(15)13-9-4-3-5-12(9,2)11(16)17/h6,9H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).