3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid

C16H24N2O3 — CID 43468513

IUPAC3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
SMILESCCCc1ccc(NC(=O)CNC(C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-12-6-8-13(9-7-12)18-14(19)10-17-15(11(2)3)16(20)21/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWYPJHWZTDXPJDG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.28
Rot. Bonds8

About 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid

3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid (PubChem CID 43468513) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
PubChem CID43468513
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
SMILESCCCc1ccc(NC(=O)CNC(C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-12-6-8-13(9-7-12)18-14(19)10-17-15(11(2)3)16(20)21/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWYPJHWZTDXPJDG-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]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)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
CID 54917864
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468596
(2R)-3-methyl-2-[[4-[(4-propylbenzoyl)amino]phenyl]sulfanylamino]butanoic acid
CID 142039488
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468312

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid (CID 43468513) is 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid is CCCc1ccc(NC(=O)CNC(C(=O)O)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid?
The InChIKey is WYPJHWZTDXPJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-12-6-8-13(9-7-12)18-14(19)10-17-15(11(2)3)16(20)21/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid?
3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid is sourced from PubChem (CID 43468513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).