2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid

C15H21NO4 — CID 63701649

IUPAC2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid
SMILESCCCN(C(C)=O)C(C)(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C15H21NO4/c1-5-9-16(11(2)17)15(3,14(18)19)12-7-6-8-13(10-12)20-4/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKeyZFRSEYBXBYJMII-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds6

About 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid

2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid (PubChem CID 63701649) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid
PubChem CID63701649
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid
SMILESCCCN(C(C)=O)C(C)(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C15H21NO4/c1-5-9-16(11(2)17)15(3,14(18)19)12-7-6-8-13(10-12)20-4/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKeyZFRSEYBXBYJMII-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic 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-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
2-ethylsulfanyl-2-(3-methoxyphenyl)propanoic acid
CID 114994834
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-[phenylmethoxycarbonyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 113235778
2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 63701432
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
3-methoxy-N,N-dipropylbenzamide
CID 669439
2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 129319861

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid (CID 63701649) is 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid is CCCN(C(C)=O)C(C)(C(=O)O)c1cccc(OC)c1.
What is the InChIKey of 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is ZFRSEYBXBYJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-9-16(11(2)17)15(3,14(18)19)12-7-6-8-13(10-12)20-4/h6-8,10H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid?
2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 63701649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).