4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H26N2O3 — CID 122024853

IUPAC4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCCC2C2CCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)12-6-8-13(9-7-12)17-16(21)18-10-2-5-14(18)11-3-1-4-11/h11-14H,1-10H2,(H,17,21)(H,19,20)
InChIKeyXJYHEILJZNAIOM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.60
Rot. Bonds3

About 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024853) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024853
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCCC2C2CCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)12-6-8-13(9-7-12)17-16(21)18-10-2-5-14(18)11-3-1-4-11/h11-14H,1-10H2,(H,17,21)(H,19,20)
InChIKeyXJYHEILJZNAIOM-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4aR,7aS)-6-methyl-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023987
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
CID 116658214
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023964
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023503
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025053
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 115695145

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024853) is 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCCC2C2CCC2)CC1.
What is the InChIKey of 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XJYHEILJZNAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)12-6-8-13(9-7-12)17-16(21)18-10-2-5-14(18)11-3-1-4-11/h11-14H,1-10H2,(H,17,21)(H,19,20).
What are the key properties of 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).