3-(cyclohexylamino)-3-phenylpropanoic acid

C15H21NO2 — CID 82931876

IUPAC3-(cyclohexylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,17,18)
InChIKeyZHYVPVXQMFGWSI-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.12
Rot. Bonds5

About 3-(cyclohexylamino)-3-phenylpropanoic acid

3-(cyclohexylamino)-3-phenylpropanoic acid (PubChem CID 82931876) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(cyclohexylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylamino)-3-phenylpropanoic acid
PubChem CID82931876
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(cyclohexylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,17,18)
InChIKeyZHYVPVXQMFGWSI-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43727644
3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid
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3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
CID 43760194
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
N-(2-methoxy-1-phenylethyl)cyclopentanamine
CID 84596036
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-(cyclohexylamino)-N-(1-phenylpropyl)acetamide
CID 54816670
2-(cyclopentylamino)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184083
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
CID 64552602

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(cyclohexylamino)-3-phenylpropanoic acid (CID 82931876) is 3-(cyclohexylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(cyclohexylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(cyclohexylamino)-3-phenylpropanoic acid is O=C(O)CC(NC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(cyclohexylamino)-3-phenylpropanoic acid?
The InChIKey is ZHYVPVXQMFGWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,17,18).
What are the key properties of 3-(cyclohexylamino)-3-phenylpropanoic acid?
3-(cyclohexylamino)-3-phenylpropanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 82931876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).