3-[cyclohexyl(3-methylbutyl)amino]propanoic acid

C14H27NO2 — CID 82328845

IUPAC3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-12(2)8-10-15(11-9-14(16)17)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyFTVCWCBZUGEBPU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds7

About 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid

3-[cyclohexyl(3-methylbutyl)amino]propanoic acid (PubChem CID 82328845) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
PubChem CID82328845
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-12(2)8-10-15(11-9-14(16)17)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyFTVCWCBZUGEBPU-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
CID 82323613
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid?
The IUPAC name of 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid (CID 82328845) is 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid is CC(C)CCN(CCC(=O)O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid?
The InChIKey is FTVCWCBZUGEBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)8-10-15(11-9-14(16)17)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid?
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(3-methylbutyl)amino]propanoic acid is sourced from PubChem (CID 82328845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).