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

C14H20N2O3 — CID 65217567

IUPAC2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-10(14(18)19)9-15-13(17)11-5-7-12(8-6-11)16(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeySKQJIBYGUHMNLU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds6

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

2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid (PubChem CID 65217567) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
PubChem CID65217567
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-10(14(18)19)9-15-13(17)11-5-7-12(8-6-11)16(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeySKQJIBYGUHMNLU-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-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
CID 65219407
(2S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxypropanoic acid
CID 107833075
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
2-[[3-[4-(dimethylamino)phenyl]prop-2-enoylamino]methyl]butanoic acid
CID 77061287
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641
5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
CID 104682533
2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
CID 65218079
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974
2-[[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]methyl]-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecanoic acid
CID 86607052

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid (CID 65217567) is 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(N(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
The InChIKey is SKQJIBYGUHMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-10(14(18)19)9-15-13(17)11-5-7-12(8-6-11)16(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid?
2-[[[4-(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-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65217567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).