2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid

C14H21NO3 — CID 84748015

IUPAC2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
SMILESCCc1ccc(C(C(=O)O)N(CC)CCO)cc1
InChIInChI=1S/C14H21NO3/c1-3-11-5-7-12(8-6-11)13(14(17)18)15(4-2)9-10-16/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyKGMJCMXLWPNWEX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.69
Rot. Bonds7

About 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid

2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid (PubChem CID 84748015) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
PubChem CID84748015
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
SMILESCCc1ccc(C(C(=O)O)N(CC)CCO)cc1
InChIInChI=1S/C14H21NO3/c1-3-11-5-7-12(8-6-11)13(14(17)18)15(4-2)9-10-16/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyKGMJCMXLWPNWEX-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)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-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749017
2-(diethylamino)-2-(4-ethylphenyl)acetamide
CID 112509996
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone
CID 92524482
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
3-[[carboxy-(4-methylsulfanylphenyl)methyl]-ethylamino]propanoic acid
CID 84747020
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083
2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
CID 83969905
2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
CID 54601247
2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83223895

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid (CID 84748015) is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid is CCc1ccc(C(C(=O)O)N(CC)CCO)cc1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid?
The InChIKey is KGMJCMXLWPNWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-11-5-7-12(8-6-11)13(14(17)18)15(4-2)9-10-16/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid?
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid is sourced from PubChem (CID 84748015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).