2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid

C14H20N2O3 — CID 65217823

IUPAC2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-10(14(18)19)9-15-13(17)11-6-5-7-12(8-11)16(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyLFEPRUNEGNGRES-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds6

About 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid

2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid (PubChem CID 65217823) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
PubChem CID65217823
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-10(14(18)19)9-15-13(17)11-6-5-7-12(8-11)16(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyLFEPRUNEGNGRES-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
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-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid (CID 65217823) is 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid is CCC(CNC(=O)c1cccc(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
The InChIKey is LFEPRUNEGNGRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-10(14(18)19)9-15-13(17)11-6-5-7-12(8-11)16(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65217823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).