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

C12H19N3O4 — CID 81161145

IUPAC1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H19N3O4/c13-9(16)8-3-1-6-15(7-8)11(19)14-12(10(17)18)4-2-5-12/h8H,1-7H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyRPZIHNSOBVBKQJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.10
Rot. Bonds3

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

1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81161145) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81161145
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H19N3O4/c13-9(16)8-3-1-6-15(7-8)11(19)14-12(10(17)18)4-2-5-12/h8H,1-7H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyRPZIHNSOBVBKQJ-UHFFFAOYSA-N
XLogP-0.10
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164173
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81163132
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
N-(1-carbamothioylcyclohexyl)pyrrolidine-1-carboxamide
CID 79161728

Frequently Asked Questions

What is the IUPAC name of 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81161145) is 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid is NC(=O)C1CCCN(C(=O)NC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is RPZIHNSOBVBKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c13-9(16)8-3-1-6-15(7-8)11(19)14-12(10(17)18)4-2-5-12/h8H,1-7H2,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81161145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).