2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid

C16H23NO4 — CID 65058654

IUPAC2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cc(C(C)N(CC(=O)O)C2CCCC2)ccc1O
InChIInChI=1S/C16H23NO4/c1-11(12-7-8-14(18)15(9-12)21-2)17(10-16(19)20)13-5-3-4-6-13/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyCAOLUCQUINUBFL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.79
Rot. Bonds6

About 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid

2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 65058654) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID65058654
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cc(C(C)N(CC(=O)O)C2CCCC2)ccc1O
InChIInChI=1S/C16H23NO4/c1-11(12-7-8-14(18)15(9-12)21-2)17(10-16(19)20)13-5-3-4-6-13/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyCAOLUCQUINUBFL-UHFFFAOYSA-N
XLogP2.79
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 65059099
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982306
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019
4-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-2-methoxyphenol
CID 82982632
2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
CID 113389381
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid (CID 65058654) is 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid is COc1cc(C(C)N(CC(=O)O)C2CCCC2)ccc1O.
What is the InChIKey of 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is CAOLUCQUINUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(12-7-8-14(18)15(9-12)21-2)17(10-16(19)20)13-5-3-4-6-13/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid?
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65058654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).