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

C12H19N3O4 — CID 81164173

IUPAC1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H19N3O4/c13-11(19)15-6-1-3-8(7-15)9(16)14-12(10(17)18)4-2-5-12/h8H,1-7H2,(H2,13,19)(H,14,16)(H,17,18)
InChIKeyGCFBJJUERPSOCI-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.10
Rot. Bonds3

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

1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164173) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164173
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H19N3O4/c13-11(19)15-6-1-3-8(7-15)9(16)14-12(10(17)18)4-2-5-12/h8H,1-7H2,(H2,13,19)(H,14,16)(H,17,18)
InChIKeyGCFBJJUERPSOCI-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-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981314
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43618865
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009

Frequently Asked Questions

What is the IUPAC name of 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81164173) is 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is NC(=O)N1CCCC(C(=O)NC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is GCFBJJUERPSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c13-11(19)15-6-1-3-8(7-15)9(16)14-12(10(17)18)4-2-5-12/h8H,1-7H2,(H2,13,19)(H,14,16)(H,17,18).
What are the key properties of 1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(1-carbamoylpiperidine-3-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-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).