2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid

C15H27NO3 — CID 115150971

IUPAC2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
SMILESCC(C)CCN(C)C(=O)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11(2)8-9-16(3)15(19)13-6-4-12(5-7-13)10-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyMQOSJUKRCCJBIZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid

2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid (PubChem CID 115150971) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
PubChem CID115150971
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
SMILESCC(C)CCN(C)C(=O)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11(2)8-9-16(3)15(19)13-6-4-12(5-7-13)10-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyMQOSJUKRCCJBIZ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115151021
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115150844
2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
CID 115150957
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526469
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 79510877
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
4-hydroxy-N-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 115150770
2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186
2-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid (CID 115150971) is 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid is CC(C)CCN(C)C(=O)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid?
The InChIKey is MQOSJUKRCCJBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)8-9-16(3)15(19)13-6-4-12(5-7-13)10-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid?
2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid is sourced from PubChem (CID 115150971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).