2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 107175594

IUPAC2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-9-5-4-7-10(9)13(16)15-12-8-3-2-6-11(12)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyVIEOUXXWJLTMCD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds3

About 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid

2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107175594) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107175594
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-9-5-4-7-10(9)13(16)15-12-8-3-2-6-11(12)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyVIEOUXXWJLTMCD-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175660
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(1S,6R)-6-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 11894945
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid (CID 107175594) is 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCCC1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VIEOUXXWJLTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-5-4-7-10(9)13(16)15-12-8-3-2-6-11(12)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107175594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).