3-[benzyl(cyclohexyl)amino]propanoic acid

C16H23NO2 — CID 82327522

IUPAC3-[benzyl(cyclohexyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23NO2/c18-16(19)11-12-17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19)
InChIKeyCTHCIJHVOBEEHI-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.30
Rot. Bonds6

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

3-[benzyl(cyclohexyl)amino]propanoic acid (PubChem CID 82327522) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[benzyl(cyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(cyclohexyl)amino]propanoic acid
PubChem CID82327522
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[benzyl(cyclohexyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23NO2/c18-16(19)11-12-17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19)
InChIKeyCTHCIJHVOBEEHI-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
CID 119994881
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
N,N-dibenzylcyclobutanamine
CID 70822586
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(cyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[benzyl(cyclohexyl)amino]propanoic acid (CID 82327522) is 3-[benzyl(cyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl(cyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl(cyclohexyl)amino]propanoic acid is O=C(O)CCN(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-[benzyl(cyclohexyl)amino]propanoic acid?
The InChIKey is CTHCIJHVOBEEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16(19)11-12-17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19).
What are the key properties of 3-[benzyl(cyclohexyl)amino]propanoic acid?
3-[benzyl(cyclohexyl)amino]propanoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(cyclohexyl)amino]propanoic acid is sourced from PubChem (CID 82327522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).