3-[(2-phenylcyclohexyl)amino]propanoic acid

C15H21NO2 — CID 43774837

IUPAC3-[(2-phenylcyclohexyl)amino]propanoic acid
SMILESO=C(O)CCNC1CCCCC1c1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)10-11-16-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)
InChIKeyDDIKQINBYDSQTG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.78
Rot. Bonds5

About 3-[(2-phenylcyclohexyl)amino]propanoic acid

3-[(2-phenylcyclohexyl)amino]propanoic acid (PubChem CID 43774837) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2-phenylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-phenylcyclohexyl)amino]propanoic acid
PubChem CID43774837
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(2-phenylcyclohexyl)amino]propanoic acid
SMILESO=C(O)CCNC1CCCCC1c1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)10-11-16-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)
InChIKeyDDIKQINBYDSQTG-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[(2-phenylcyclohexyl)amino]propanamide
CID 79377780
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
CID 43771846
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 122016808
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(2-phenylcyclohexyl)amino]propanoic acid (CID 43774837) is 3-[(2-phenylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-phenylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-phenylcyclohexyl)amino]propanoic acid is O=C(O)CCNC1CCCCC1c1ccccc1.
What is the InChIKey of 3-[(2-phenylcyclohexyl)amino]propanoic acid?
The InChIKey is DDIKQINBYDSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)10-11-16-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18).
What are the key properties of 3-[(2-phenylcyclohexyl)amino]propanoic acid?
3-[(2-phenylcyclohexyl)amino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 43774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).