2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid

C14H20N2O3 — CID 65068255

IUPAC2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-13(14(18)19)16(3)9-11-5-7-12(8-6-11)15-10(2)17/h5-8,13H,4,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyTUVCENSXVGBIBO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.94
Rot. Bonds6

About 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid

2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid (PubChem CID 65068255) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
PubChem CID65068255
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-13(14(18)19)16(3)9-11-5-7-12(8-6-11)15-10(2)17/h5-8,13H,4,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyTUVCENSXVGBIBO-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-acetamidophenyl)methyl-methylamino]butanoic 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

(2S)-2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanoic acid
CID 125118009
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
N-[4-[2-[[N'-[3-[benzyl(methyl)amino]butyl]-N-ethylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111719576
(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 125443485
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
2-[(2,6-difluorophenyl)methyl-methylamino]butanoic acid
CID 65068207
(2S)-2-[benzyl(methyl)amino]hexanoic acid
CID 165358312
2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65063964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid?
The IUPAC name of 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid (CID 65068255) is 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid?
The InChIKey is TUVCENSXVGBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-13(14(18)19)16(3)9-11-5-7-12(8-6-11)15-10(2)17/h5-8,13H,4,9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid?
2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 65068255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).