3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid

C15H21NO3 — CID 117412953

IUPAC3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CN)C(=O)O)cc1C1CCCC1
InChIInChI=1S/C15H21NO3/c1-19-14-7-6-11(13(9-16)15(17)18)8-12(14)10-4-2-3-5-10/h6-8,10,13H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyZUJRSISPGALIIU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds5

About 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid

3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid (PubChem CID 117412953) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
PubChem CID117412953
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CN)C(=O)O)cc1C1CCCC1
InChIInChI=1S/C15H21NO3/c1-19-14-7-6-11(13(9-16)15(17)18)8-12(14)10-4-2-3-5-10/h6-8,10,13H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyZUJRSISPGALIIU-UHFFFAOYSA-N
XLogP2.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117381015
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine
CID 117408772
3-amino-2-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117475989
3-amino-2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117450025
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
3-amino-2-(3-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117319642
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
CID 151172035

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid (CID 117412953) is 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid is COc1ccc(C(CN)C(=O)O)cc1C1CCCC1.
What is the InChIKey of 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid?
The InChIKey is ZUJRSISPGALIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-7-6-11(13(9-16)15(17)18)8-12(14)10-4-2-3-5-10/h6-8,10,13H,2-5,9,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid?
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117412953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).