2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid

C15H21NO4 — CID 120686488

IUPAC2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCCC(C(=O)N(CC)CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-4-13(11-6-8-12(20-3)9-7-11)15(19)16(5-2)10-14(17)18/h6-9,13H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyORQOORAAUPOYBB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds7

About 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid

2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid (PubChem CID 120686488) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
PubChem CID120686488
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCCC(C(=O)N(CC)CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-4-13(11-6-8-12(20-3)9-7-11)15(19)16(5-2)10-14(17)18/h6-9,13H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyORQOORAAUPOYBB-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]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-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120688282
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[ethyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino]acetic acid
CID 119205945
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 119039574
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid (CID 120686488) is 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid is CCC(C(=O)N(CC)CC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The InChIKey is ORQOORAAUPOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-13(11-6-8-12(20-3)9-7-11)15(19)16(5-2)10-14(17)18/h6-9,13H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 120686488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).