2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid

C10H19NO4 — CID 119170014

IUPAC2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
SMILESCOCC(C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(10(13)14)11-9(12)7(3)5-15-4/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBRATUWHSDWXQPE-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.49
Rot. Bonds6

About 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid

2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid (PubChem CID 119170014) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
PubChem CID119170014
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
SMILESCOCC(C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(10(13)14)11-9(12)7(3)5-15-4/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBRATUWHSDWXQPE-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]butanoic acid
CID 79202638
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
2-(2,4-dimethylpent-4-enoylamino)-3-methylbutanoic acid
CID 120684429
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid
CID 119368911
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 81083929
(2S)-2-[[(2R,3S)-2-hydroxy-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 101466455
(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508
(2S)-2-(2-carboxypropanoylamino)-3-methylbutanoic acid
CID 122065069
(2S)-2-[3-(2-methoxyethoxy)propanoylamino]-3-methylbutanoic acid
CID 119360709
(2S)-3-methyl-2-(2-methylundecanoylamino)butanoic acid
CID 89211028

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid (CID 119170014) is 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid is COCC(C)C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid?
The InChIKey is BRATUWHSDWXQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)8(10(13)14)11-9(12)7(3)5-15-4/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid?
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119170014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).