2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid

C14H18N2O4 — CID 43469297

IUPAC2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1N(C)C(C)=O)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-4-11(14(19)20)15-13(18)10-7-5-6-8-12(10)16(3)9(2)17/h5-8,11H,4H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyMTGHYASSQYIAFL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.26
Rot. Bonds5

About 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid

2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid (PubChem CID 43469297) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
PubChem CID43469297
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1N(C)C(C)=O)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-4-11(14(19)20)15-13(18)10-7-5-6-8-12(10)16(3)9(2)17/h5-8,11H,4H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyMTGHYASSQYIAFL-UHFFFAOYSA-N
XLogP1.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-[[2-[acetyl(methyl)amino]benzoyl]amino]-3-hydroxybutanoic acid
CID 104964612
2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 110463513
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide
CID 154875932
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
CID 104547663
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
CID 43469598
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid (CID 43469297) is 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccccc1N(C)C(C)=O)C(=O)O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is MTGHYASSQYIAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-11(14(19)20)15-13(18)10-7-5-6-8-12(10)16(3)9(2)17/h5-8,11H,4H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid?
2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid is sourced from PubChem (CID 43469297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).