1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

C17H29NO3 — CID 115440979

IUPAC1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)CCC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C17H29NO3/c1-13-8-10-17(11-9-13,16(20)21)12-18-15(19)7-6-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyGKDHADXSKRWKIR-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.35
Rot. Bonds6

About 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115440979) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115440979
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)CCC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C17H29NO3/c1-13-8-10-17(11-9-13,16(20)21)12-18-15(19)7-6-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyGKDHADXSKRWKIR-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441031
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[(3-ethoxypropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310360
1-[[3-(ethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442654
1-[(4-methoxybutanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440871
4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
CID 65120285
1-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442563
1-[[(2-acetamidoacetyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310356
4-methyl-1-[[[2-(oxan-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115440948
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
3-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272150

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115440979) is 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)CCC2CCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is GKDHADXSKRWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-8-10-17(11-9-13,16(20)21)12-18-15(19)7-6-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115440979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).