2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

C14H20N2O3 — CID 104547839

IUPAC2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19)16(3)13(17)12-7-5-4-6-11(12)8-9-15-2/h4-7,10,15H,8-9H2,1-3H3,(H,18,19)
InChIKeyBYWYKYRKADCTMN-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds6

About 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (PubChem CID 104547839) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
PubChem CID104547839
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19)16(3)13(17)12-7-5-4-6-11(12)8-9-15-2/h4-7,10,15H,8-9H2,1-3H3,(H,18,19)
InChIKeyBYWYKYRKADCTMN-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-[2-(methylamino)ethyl]benzamide
CID 103188613
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119358577
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
2-[2-(methylamino)ethyl]benzamide
CID 69094527
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (CID 104547839) is 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is CNCCc1ccccc1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The InChIKey is BYWYKYRKADCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(14(18)19)16(3)13(17)12-7-5-4-6-11(12)8-9-15-2/h4-7,10,15H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 104547839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).