2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid

C17H31NO3 — CID 82984628

IUPAC2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
SMILESCCCC(CCC)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H31NO3/c1-3-8-14(9-4-2)16(21)18-13-17(12-15(19)20)10-6-5-7-11-17/h14H,3-13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKILYATLYJPHANZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.74
Rot. Bonds9

About 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid

2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid (PubChem CID 82984628) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
PubChem CID82984628
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
SMILESCCCC(CCC)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H31NO3/c1-3-8-14(9-4-2)16(21)18-13-17(12-15(19)20)10-6-5-7-11-17/h14H,3-13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKILYATLYJPHANZ-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylcyclohexyl)methyl]-2-propylpentanamide
CID 118545273
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
2-[1-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]cyclobutyl]acetic acid
CID 107472478
(3S)-3-amino-4-[[1-(carboxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 90738461
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
2-[1-[[2-[2-(4-oxo-5-propyloctanoyl)oxyethyldisulfanyl]ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 58607975
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103970224
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103969559
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid (CID 82984628) is 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid is CCCC(CCC)C(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is KILYATLYJPHANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-8-14(9-4-2)16(21)18-13-17(12-15(19)20)10-6-5-7-11-17/h14H,3-13H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 297.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 82984628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).