2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid

C15H21NO4 — CID 63703534

IUPAC2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid
SMILESCCOc1ccccc1C(C(=O)O)N(C(C)=O)C(C)C
InChIInChI=1S/C15H21NO4/c1-5-20-13-9-7-6-8-12(13)14(15(18)19)16(10(2)3)11(4)17/h6-10,14H,5H2,1-4H3,(H,18,19)
InChIKeyNOMBXFGIHUGPMH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds6

About 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid

2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid (PubChem CID 63703534) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid
PubChem CID63703534
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid
SMILESCCOc1ccccc1C(C(=O)O)N(C(C)=O)C(C)C
InChIInChI=1S/C15H21NO4/c1-5-20-13-9-7-6-8-12(13)14(15(18)19)16(10(2)3)11(4)17/h6-10,14H,5H2,1-4H3,(H,18,19)
InChIKeyNOMBXFGIHUGPMH-UHFFFAOYSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)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

3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(2-ethoxyphenyl)butanedioic acid
CID 112508431
2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
CID 62397820
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 83224823
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-ethoxyaniline;propan-2-one
CID 517004

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid (CID 63703534) is 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid is CCOc1ccccc1C(C(=O)O)N(C(C)=O)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid?
The InChIKey is NOMBXFGIHUGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-20-13-9-7-6-8-12(13)14(15(18)19)16(10(2)3)11(4)17/h6-10,14H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid?
2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid is sourced from PubChem (CID 63703534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).