1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

C12H20N2O4 — CID 81162733

IUPAC1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N1CCCC(CO)C1
InChIInChI=1S/C12H20N2O4/c15-8-9-3-1-6-14(7-9)11(18)13-12(10(16)17)4-2-5-12/h9,15H,1-8H2,(H,13,18)(H,16,17)
InChIKeyPFHWLZFHPKXJMQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.41
Rot. Bonds3

About 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81162733) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81162733
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N1CCCC(CO)C1
InChIInChI=1S/C12H20N2O4/c15-8-9-3-1-6-14(7-9)11(18)13-12(10(16)17)4-2-5-12/h9,15H,1-8H2,(H,13,18)(H,16,17)
InChIKeyPFHWLZFHPKXJMQ-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-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-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 115965766
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81163132
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 81162733) is 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)N1CCCC(CO)C1.
What is the InChIKey of 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is PFHWLZFHPKXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-8-9-3-1-6-14(7-9)11(18)13-12(10(16)17)4-2-5-12/h9,15H,1-8H2,(H,13,18)(H,16,17).
What are the key properties of 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).