1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid

C11H18N2O3 — CID 114548926

IUPAC1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
SMILESCC1CCC(NC(=O)N2CC(C(=O)O)C2)C1
InChIInChI=1S/C11H18N2O3/c1-7-2-3-9(4-7)12-11(16)13-5-8(6-13)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyCBYFNWQMGMUMDM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds2

About 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid

1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 114548926) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID114548926
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
SMILESCC1CCC(NC(=O)N2CC(C(=O)O)C2)C1
InChIInChI=1S/C11H18N2O3/c1-7-2-3-9(4-7)12-11(16)13-5-8(6-13)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyCBYFNWQMGMUMDM-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123402
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid (CID 114548926) is 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid is CC1CCC(NC(=O)N2CC(C(=O)O)C2)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is CBYFNWQMGMUMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-2-3-9(4-7)12-11(16)13-5-8(6-13)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid?
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 114548926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).