2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid

C12H17NO3 — CID 65063433

IUPAC2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(C)c1ccccc1O
InChIInChI=1S/C12H17NO3/c1-3-13(8-12(15)16)9(2)10-6-4-5-7-11(10)14/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyKAZOHMSYRHFNHF-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.86
Rot. Bonds5

About 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid

2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid (PubChem CID 65063433) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
PubChem CID65063433
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(C)c1ccccc1O
InChIInChI=1S/C12H17NO3/c1-3-13(8-12(15)16)9(2)10-6-4-5-7-11(10)14/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyKAZOHMSYRHFNHF-UHFFFAOYSA-N
XLogP1.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
2-[1-(2-hydroxyphenyl)propyl-prop-2-enylamino]acetic acid
CID 79285321
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
CID 65063538
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446
2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 65062970
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid (CID 65063433) is 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid is CCN(CC(=O)O)C(C)c1ccccc1O.
What is the InChIKey of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid?
The InChIKey is KAZOHMSYRHFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-13(8-12(15)16)9(2)10-6-4-5-7-11(10)14/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid?
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65063433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).