4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 21470545

IUPAC4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCCCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-2-3-4-12(15)14-9-10-5-7-11(8-6-10)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyHJYSXVQRIIXWSR-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds6

About 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 21470545) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID21470545
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCCCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-2-3-4-12(15)14-9-10-5-7-11(8-6-10)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyHJYSXVQRIIXWSR-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526283
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
4-[(hexylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532469
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125
N-[(4-chlorocyclohexyl)methyl]butanamide
CID 106133703
N-butyl-N'-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pentanediamide
CID 178126271
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
4-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525181
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311

Frequently Asked Questions

What is the IUPAC name of 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid (CID 21470545) is 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid is CCCCC(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HJYSXVQRIIXWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-12(15)14-9-10-5-7-11(8-6-10)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 21470545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).