2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid

C11H21NO4 — CID 115910298

IUPAC2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)C(C)C(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)8(3)9(13)12-11(4,6-16-5)10(14)15/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyDVRZLGFSZYRYLN-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.88
Rot. Bonds6

About 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid

2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid (PubChem CID 115910298) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
PubChem CID115910298
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)C(C)C(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)8(3)9(13)12-11(4,6-16-5)10(14)15/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyDVRZLGFSZYRYLN-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
CID 235997
Diethyl acetamido(ethyl)propanedioate
CID 13945395
2-Acetamido-2-ethoxycarbonylbutanoic acid
CID 13945398
(2S)-3-methoxy-2-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 124685214
N-3-methylbutanoyl-l-serine methyl ester
CID 172869386
N-3-methylbutanoyl-O-isobutanoyl-l-serine
CID 172869400
3-Methoxy-2-methyl-2-(4,4,4-trifluorobutanoylamino)propanoic acid
CID 120212732
3-Methoxy-2-methyl-2-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]propanoic acid
CID 121910279
2-(Methoxymethyl)-2-(trifluoroacetamido)butanoic acid
CID 131061518
3-Hydroxy-2-methyl-2-(pentanoylamino)propanoic acid
CID 20131901
(2S)-3-hydroxy-2-methyl-2-(pentanoylamino)propanoic acid
CID 45122334
methyl 3-hydroxy-2-[[(2S)-2-methylbutanoyl]amino]propanoate
CID 54104993

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid (CID 115910298) is 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)C(C)C(C)C)C(=O)O.
What is the InChIKey of 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
The InChIKey is DVRZLGFSZYRYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)8(3)9(13)12-11(4,6-16-5)10(14)15/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115910298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).