1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 115000498

IUPAC1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C1NCCCC1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H20N2O3/c15-10-9(5-4-8-13-10)14-12(11(16)17)6-2-1-3-7-12/h9,14H,1-8H2,(H,13,15)(H,16,17)
InChIKeyMQALARVDRPNQBO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.64
Rot. Bonds3

About 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid

1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115000498) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID115000498
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C1NCCCC1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H20N2O3/c15-10-9(5-4-8-13-10)14-12(11(16)17)6-2-1-3-7-12/h9,14H,1-8H2,(H,13,15)(H,16,17)
InChIKeyMQALARVDRPNQBO-UHFFFAOYSA-N
XLogP0.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
CID 62093083
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
3-(spiro[3.5]nonan-3-ylamino)piperidin-2-one
CID 102951791
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 83876182
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
1-carbamothioyl-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 55037601
4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 55176788
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid (CID 115000498) is 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid is O=C1NCCCC1NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MQALARVDRPNQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10-9(5-4-8-13-10)14-12(11(16)17)6-2-1-3-7-12/h9,14H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid?
1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115000498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).