2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid

C14H18N2O4 — CID 65218021

IUPAC2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-10(14(19)20)8-15-13(18)11-4-6-12(7-5-11)16-9(2)17/h4-7,10H,3,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyMHKXYBXRKGMXOT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.49
Rot. Bonds6

About 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid

2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid (PubChem CID 65218021) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
PubChem CID65218021
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-10(14(19)20)8-15-13(18)11-4-6-12(7-5-11)16-9(2)17/h4-7,10H,3,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyMHKXYBXRKGMXOT-UHFFFAOYSA-N
XLogP1.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
CID 65219407
4-acetamido-N-(2,2-dimethoxyethyl)benzamide
CID 110463963
2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
CID 65219158
2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
CID 65218079
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid (CID 65218021) is 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(NC(C)=O)cc1)C(=O)O.
What is the InChIKey of 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid?
The InChIKey is MHKXYBXRKGMXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-10(14(19)20)8-15-13(18)11-4-6-12(7-5-11)16-9(2)17/h4-7,10H,3,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid?
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65218021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).