3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid

C15H27NO3 — CID 82324204

IUPAC3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
SMILESCCC(C)N(CC(C)C(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-4-12(3)16(10-11(2)15(18)19)14(17)13-8-6-5-7-9-13/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyWNEPORXFWMYYLJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.91
Rot. Bonds6

About 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid

3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid (PubChem CID 82324204) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
PubChem CID82324204
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
SMILESCCC(C)N(CC(C)C(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-4-12(3)16(10-11(2)15(18)19)14(17)13-8-6-5-7-9-13/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyWNEPORXFWMYYLJ-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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Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid (CID 82324204) is 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid is CCC(C)N(CC(C)C(=O)O)C(=O)C1CCCCC1.
What is the InChIKey of 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid?
The InChIKey is WNEPORXFWMYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-12(3)16(10-11(2)15(18)19)14(17)13-8-6-5-7-9-13/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid?
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic 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 3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82324204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).