2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid

C13H24N2O4 — CID 62818844

IUPAC2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(14-10(17)12(2,3)4)9(16)15(7)13(5,6)11(18)19/h8H,1-7H3,(H,14,17)(H,18,19)
InChIKeyIGWCOZBEKCKANX-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.86
Rot. Bonds4

About 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid

2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62818844) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID62818844
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(14-10(17)12(2,3)4)9(16)15(7)13(5,6)11(18)19/h8H,1-7H3,(H,14,17)(H,18,19)
InChIKeyIGWCOZBEKCKANX-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119656130
2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid
CID 115730595
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
CID 62818134
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119660529
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 119443872
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid (CID 62818844) is 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid is CC(NC(=O)C(C)(C)C)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is IGWCOZBEKCKANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(14-10(17)12(2,3)4)9(16)15(7)13(5,6)11(18)19/h8H,1-7H3,(H,14,17)(H,18,19).
What are the key properties of 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid?
2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 272.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).