2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid

C14H21NO3 — CID 84746496

IUPAC2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCCCCN(C)C(C(=O)O)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-5-10-15(2)13(14(16)17)11-8-6-7-9-12(11)18-3/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyDRRMWGYWUSFQMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.55
Rot. Bonds7

About 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid

2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid (PubChem CID 84746496) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
PubChem CID84746496
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCCCCN(C)C(C(=O)O)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-5-10-15(2)13(14(16)17)11-8-6-7-9-12(11)18-3/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyDRRMWGYWUSFQMD-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)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-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 84747604
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84751344
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-[butyl(ethyl)amino]-2-(2,5-dimethoxyphenyl)acetic acid
CID 84751432
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63703746
2-[butyl(methyl)amino]-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84748524
2-(2-methoxyphenyl)-2-(2,4,5-trichloro-N-ethylanilino)acetic acid
CID 70566809
2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749678
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid (CID 84746496) is 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid is CCCCN(C)C(C(=O)O)c1ccccc1OC.
What is the InChIKey of 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
The InChIKey is DRRMWGYWUSFQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-5-10-15(2)13(14(16)17)11-8-6-7-9-12(11)18-3/h6-9,13H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 84746496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).