2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid

C16H23NO3 — CID 65058402

IUPAC2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc(C(C)N(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(13-6-5-9-15(10-13)20-2)17(11-16(18)19)14-7-3-4-8-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,18,19)
InChIKeyDWHNHUSDTUZPHK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds6

About 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid

2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 65058402) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID65058402
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc(C(C)N(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(13-6-5-9-15(10-13)20-2)17(11-16(18)19)14-7-3-4-8-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,18,19)
InChIKeyDWHNHUSDTUZPHK-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
CID 65058930
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid (CID 65058402) is 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid is COc1cccc(C(C)N(CC(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is DWHNHUSDTUZPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(13-6-5-9-15(10-13)20-2)17(11-16(18)19)14-7-3-4-8-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid?
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65058402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).