2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid

C14H25NO3 — CID 116817186

IUPAC2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
SMILESCC(C)CCC(=O)NC1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)3-8-13(16)15-12-6-4-11(5-7-12)9-14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGTIHUSOFHYHVLV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid

2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid (PubChem CID 116817186) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
PubChem CID116817186
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
SMILESCC(C)CCC(=O)NC1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)3-8-13(16)15-12-6-4-11(5-7-12)9-14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGTIHUSOFHYHVLV-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

N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylpentanamide
CID 116817227
N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
CID 116817135
2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid
CID 116817195
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
N,N'-dicyclopropylbutanediamide
CID 5225156
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid (CID 116817186) is 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid is CC(C)CCC(=O)NC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid?
The InChIKey is GTIHUSOFHYHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)3-8-13(16)15-12-6-4-11(5-7-12)9-14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid?
2-[4-(4-methylpentanoylamino)cyclohexyl]acetic 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 2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 116817186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).