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

C16H23NO2 — CID 63067063

IUPAC3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
SMILESCCN(CC(C(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-17(14-10-6-7-11-14)12-15(16(18)19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19)
InChIKeyXZTOPAVHLDAMRC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds6

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

3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid (PubChem CID 63067063) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
PubChem CID63067063
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
SMILESCCN(CC(C(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-17(14-10-6-7-11-14)12-15(16(18)19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19)
InChIKeyXZTOPAVHLDAMRC-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
CID 64567098
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
CID 64560977
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid (CID 63067063) is 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid is CCN(CC(C(=O)O)c1ccccc1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid?
The InChIKey is XZTOPAVHLDAMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-17(14-10-6-7-11-14)12-15(16(18)19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid?
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63067063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).