3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid

C15H21NO2 — CID 55146888

IUPAC3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
SMILESCN(CC(C(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C15H21NO2/c1-16(13-9-5-6-10-13)11-14(15(17)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyXWOIFKALKJVFKZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds5

About 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid

3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid (PubChem CID 55146888) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
PubChem CID55146888
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
SMILESCN(CC(C(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C15H21NO2/c1-16(13-9-5-6-10-13)11-14(15(17)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyXWOIFKALKJVFKZ-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
CID 64567098
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
CID 64560977
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
CID 64567705
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid (CID 55146888) is 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid is CN(CC(C(=O)O)c1ccccc1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid?
The InChIKey is XWOIFKALKJVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(13-9-5-6-10-13)11-14(15(17)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid?
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 55146888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).