4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid

C14H25NO3 — CID 115277307

IUPAC4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)4-3-5-13(16)15-12-8-6-11(7-9-12)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCATDIKWLXUVDNW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid

4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 115277307) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
PubChem CID115277307
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)4-3-5-13(16)15-12-8-6-11(7-9-12)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCATDIKWLXUVDNW-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
N-(4-cyanocyclohexyl)-5-methylhexanamide
CID 116817048
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906
5-amino-N-cyclopropylhexanamide
CID 82848782
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid (CID 115277307) is 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid is CC(C)CCCC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CATDIKWLXUVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)4-3-5-13(16)15-12-8-6-11(7-9-12)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid?
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115277307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).