2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid

C11H22N2O3 — CID 64582721

IUPAC2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
SMILESCC(=O)NC(CN(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(14)12-9(10(15)16)6-13(5)7-11(2,3)4/h9H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyQIPSSPJPKCDEDE-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.55
Rot. Bonds5

About 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid

2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid (PubChem CID 64582721) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
PubChem CID64582721
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
SMILESCC(=O)NC(CN(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(14)12-9(10(15)16)6-13(5)7-11(2,3)4/h9H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyQIPSSPJPKCDEDE-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
CID 64583126
2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
CID 64583318
2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 64583130
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
CID 64582308
2-acetamido-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 64582521
2-acetamido-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 64581916
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-acetamido-3-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 64582503

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid (CID 64582721) is 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid is CC(=O)NC(CN(C)CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid?
The InChIKey is QIPSSPJPKCDEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(14)12-9(10(15)16)6-13(5)7-11(2,3)4/h9H,6-7H2,1-5H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid?
2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid is sourced from PubChem (CID 64582721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).