4-[[3-(dimethylamino)benzoyl]amino]butanoic acid

C13H18N2O3 — CID 43089726

IUPAC4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
SMILESCN(C)c1cccc(C(=O)NCCCC(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-15(2)11-6-3-5-10(9-11)13(18)14-8-4-7-12(16)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZCBUWZMWQGRTBW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.35
Rot. Bonds6

About 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid

4-[[3-(dimethylamino)benzoyl]amino]butanoic acid (PubChem CID 43089726) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
PubChem CID43089726
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
SMILESCN(C)c1cccc(C(=O)NCCCC(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-15(2)11-6-3-5-10(9-11)13(18)14-8-4-7-12(16)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZCBUWZMWQGRTBW-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
CID 15491493
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid (CID 43089726) is 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid is CN(C)c1cccc(C(=O)NCCCC(=O)O)c1.
What is the InChIKey of 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid?
The InChIKey is ZCBUWZMWQGRTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(2)11-6-3-5-10(9-11)13(18)14-8-4-7-12(16)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid?
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)benzoyl]amino]butanoic acid is sourced from PubChem (CID 43089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).