2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid

C15H27NO3 — CID 116817200

IUPAC2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
SMILESCC(C)CCC(=O)N(C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11(2)4-9-14(17)16(3)13-7-5-12(6-8-13)10-15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyJJHXAXUHIAOFHX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid

2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid (PubChem CID 116817200) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
PubChem CID116817200
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
SMILESCC(C)CCC(=O)N(C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11(2)4-9-14(17)16(3)13-7-5-12(6-8-13)10-15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyJJHXAXUHIAOFHX-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 115277291
N-(4-ethylcyclohexyl)-4-hydroxy-N-methylpentanamide
CID 79191579
2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617338
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186
4-[(4-ethylcyclohexyl)-methylamino]-4-oxobutanoic acid
CID 54907859
2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
CID 115150971
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
CID 83618301
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid (CID 116817200) is 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid is CC(C)CCC(=O)N(C)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid?
The InChIKey is JJHXAXUHIAOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)4-9-14(17)16(3)13-7-5-12(6-8-13)10-15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid?
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 116817200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).