2-(benzylamino)-2-cyclohexylpropanoic acid

C16H23NO2 — CID 63320736

IUPAC2-(benzylamino)-2-cyclohexylpropanoic acid
SMILESCC(NCc1ccccc1)(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-16(15(18)19,14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2,4-5,8-9,14,17H,3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyNWEMLKLIGZLSIU-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.20
Rot. Bonds5

About 2-(benzylamino)-2-cyclohexylpropanoic acid

2-(benzylamino)-2-cyclohexylpropanoic acid (PubChem CID 63320736) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(benzylamino)-2-cyclohexylpropanoic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-cyclohexylpropanoic acid
PubChem CID63320736
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(benzylamino)-2-cyclohexylpropanoic acid
SMILESCC(NCc1ccccc1)(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-16(15(18)19,14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2,4-5,8-9,14,17H,3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyNWEMLKLIGZLSIU-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoic acid
CID 66973241
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
methyl 2-cyclohexyl-2-(dibenzylamino)propanoate
CID 174673383
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
CID 71415199

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-cyclohexylpropanoic acid?
The IUPAC name of 2-(benzylamino)-2-cyclohexylpropanoic acid (CID 63320736) is 2-(benzylamino)-2-cyclohexylpropanoic acid.
What is the SMILES notation for 2-(benzylamino)-2-cyclohexylpropanoic acid?
The canonical SMILES for 2-(benzylamino)-2-cyclohexylpropanoic acid is CC(NCc1ccccc1)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(benzylamino)-2-cyclohexylpropanoic acid?
The InChIKey is NWEMLKLIGZLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(15(18)19,14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2,4-5,8-9,14,17H,3,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 2-(benzylamino)-2-cyclohexylpropanoic acid?
2-(benzylamino)-2-cyclohexylpropanoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-cyclohexylpropanoic acid is sourced from PubChem (CID 63320736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).