2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid

C11H21NO3 — CID 154824820

IUPAC2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
SMILESCCC(CC(C)C(=O)O)C(=O)NC(C)C
InChIInChI=1S/C11H21NO3/c1-5-9(6-8(4)11(14)15)10(13)12-7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyQQFVPKCJEPXARZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid

2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid (PubChem CID 154824820) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid.

Molecular Properties

Compound Name2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
PubChem CID154824820
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
SMILESCCC(CC(C)C(=O)O)C(=O)NC(C)C
InChIInChI=1S/C11H21NO3/c1-5-9(6-8(4)11(14)15)10(13)12-7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyQQFVPKCJEPXARZ-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
4-carbamoyl-2-methylhexanoic acid
CID 20783257
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
5-(propan-2-ylcarbamoyl)-1-(2,4,4-trimethylpentan-2-ylsulfanyl)decane-1,3,7,9-tetracarboxylic acid
CID 147726511
2-[2-(aminomethyl)butanoylamino]-4-methylpentanoic acid
CID 65227373
N-tert-butyl-4-ethyl-2-methyl-N'-propan-2-ylpentanediamide;butyl 2-methyl-4-(propan-2-ylcarbamoyl)hexanoate
CID 157215244
7-butoxy-2-ethyl-6-methyl-7-oxo-4-(propan-2-ylcarbamoyl)heptanoate
CID 23528127
4-(2-hydroxyethoxycarbonyl)-2-methylhexanoic acid
CID 176620602
4-(2-hydroxypropoxycarbonyl)-2-methylhexanoic acid
CID 91349360
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
CID 21201077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid?
The IUPAC name of 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid (CID 154824820) is 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid.
What is the SMILES notation for 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid?
The canonical SMILES for 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid is CCC(CC(C)C(=O)O)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid?
The InChIKey is QQFVPKCJEPXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-9(6-8(4)11(14)15)10(13)12-7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid?
2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid is sourced from PubChem (CID 154824820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).