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

C18H27NO2 — CID 82329050

IUPAC3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H27NO2/c20-18(21)13-15-19(17-11-5-2-6-12-17)14-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,20,21)
InChIKeyTTYKQFUDBHGTTO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.73
Rot. Bonds8

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

3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid (PubChem CID 82329050) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
PubChem CID82329050
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H27NO2/c20-18(21)13-15-19(17-11-5-2-6-12-17)14-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,20,21)
InChIKeyTTYKQFUDBHGTTO-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
CID 119994881

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid (CID 82329050) is 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid is O=C(O)CCN(CCCc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid?
The InChIKey is TTYKQFUDBHGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-18(21)13-15-19(17-11-5-2-6-12-17)14-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,20,21).
What are the key properties of 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid?
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid is sourced from PubChem (CID 82329050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).