2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid

C13H19NO4 — CID 82344792

IUPAC2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
SMILESCCOc1ccc(C(NCC(C)O)C(=O)O)cc1
InChIInChI=1S/C13H19NO4/c1-3-18-11-6-4-10(5-7-11)12(13(16)17)14-8-9(2)15/h4-7,9,12,14-15H,3,8H2,1-2H3,(H,16,17)
InChIKeyUUKKLPNHQSLXGZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.18
Rot. Bonds7

About 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid

2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid (PubChem CID 82344792) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
PubChem CID82344792
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
SMILESCCOc1ccc(C(NCC(C)O)C(=O)O)cc1
InChIInChI=1S/C13H19NO4/c1-3-18-11-6-4-10(5-7-11)12(13(16)17)14-8-9(2)15/h4-7,9,12,14-15H,3,8H2,1-2H3,(H,16,17)
InChIKeyUUKKLPNHQSLXGZ-UHFFFAOYSA-N
XLogP1.18
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)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-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
CID 82344814
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid (CID 82344792) is 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid is CCOc1ccc(C(NCC(C)O)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid?
The InChIKey is UUKKLPNHQSLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-18-11-6-4-10(5-7-11)12(13(16)17)14-8-9(2)15/h4-7,9,12,14-15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid?
2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid is sourced from PubChem (CID 82344792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).