2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid

C15H21NO5 — CID 63703746

IUPAC2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
SMILESCCCN(C(C)=O)C(C(=O)O)c1cccc(OC)c1OC
InChIInChI=1S/C15H21NO5/c1-5-9-16(10(2)17)13(15(18)19)11-7-6-8-12(20-3)14(11)21-4/h6-8,13H,5,9H2,1-4H3,(H,18,19)
InChIKeyDQTJEZANCFKLKN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.09
Rot. Bonds7

About 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid

2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid (PubChem CID 63703746) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
PubChem CID63703746
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
SMILESCCCN(C(C)=O)C(C(=O)O)c1cccc(OC)c1OC
InChIInChI=1S/C15H21NO5/c1-5-9-16(10(2)17)13(15(18)19)11-7-6-8-12(20-3)14(11)21-4/h6-8,13H,5,9H2,1-4H3,(H,18,19)
InChIKeyDQTJEZANCFKLKN-UHFFFAOYSA-N
XLogP2.09
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)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-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 84747604
2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63704797
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
(2S)-2-amino-2-(3-methoxy-2-propoxyphenyl)acetic acid
CID 7139541

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid (CID 63703746) is 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid is CCCN(C(C)=O)C(C(=O)O)c1cccc(OC)c1OC.
What is the InChIKey of 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The InChIKey is DQTJEZANCFKLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-9-16(10(2)17)13(15(18)19)11-7-6-8-12(20-3)14(11)21-4/h6-8,13H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid has a molecular weight of 295.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 63703746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).