2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid

C15H22N2O3 — CID 65219407

IUPAC2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(CN(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-12(15(19)20)9-16-14(18)13-7-5-11(6-8-13)10-17(2)3/h5-8,12H,4,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUWZBBXYEJDOKGO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds7

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

2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid (PubChem CID 65219407) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
PubChem CID65219407
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(CN(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-12(15(19)20)9-16-14(18)13-7-5-11(6-8-13)10-17(2)3/h5-8,12H,4,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUWZBBXYEJDOKGO-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
2-[[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]methyl]butanoic acid
CID 65218795
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
CID 65218079
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid (CID 65219407) is 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(CN(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid?
The InChIKey is UWZBBXYEJDOKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12(15(19)20)9-16-14(18)13-7-5-11(6-8-13)10-17(2)3/h5-8,12H,4,9-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid?
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65219407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).