2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid

C16H23NO3 — CID 65058314

IUPAC2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
SMILESCc1ccc(O)c(C(C)N(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-11-7-8-15(18)14(9-11)12(2)17(10-16(19)20)13-5-3-4-6-13/h7-9,12-13,18H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyBYNDPODBZRYGOY-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds5

About 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid

2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid (PubChem CID 65058314) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
PubChem CID65058314
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
SMILESCc1ccc(O)c(C(C)N(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-11-7-8-15(18)14(9-11)12(2)17(10-16(19)20)13-5-3-4-6-13/h7-9,12-13,18H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyBYNDPODBZRYGOY-UHFFFAOYSA-N
XLogP3.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
CID 65058262
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
CID 65058930
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
3-[cyclopropyl-[1-(2,5-dihydroxyphenyl)ethyl]amino]propanoic acid
CID 65055025
2-[1-(2-hydroxy-5-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266725
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid (CID 65058314) is 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid is Cc1ccc(O)c(C(C)N(CC(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid?
The InChIKey is BYNDPODBZRYGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-8-15(18)14(9-11)12(2)17(10-16(19)20)13-5-3-4-6-13/h7-9,12-13,18H,3-6,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid?
2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65058314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).