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

C11H21NO4 — CID 115910285

IUPAC2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)6-8(13)12-11(4,7-16-5)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyJMUDFXZAJJBUFP-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds5

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

2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid (PubChem CID 115910285) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
PubChem CID115910285
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)6-8(13)12-11(4,7-16-5)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyJMUDFXZAJJBUFP-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115910312
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]propanoic acid
CID 120531700
2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531922
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide
CID 95768929
2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
CID 120531855
2-[[(2E)-hexa-2,4-dienoyl]amino]-3-methoxy-2-methylpropanoic acid
CID 103925883
2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
CID 113470258
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
2-[5-(4-bromophenoxy)pentanoylamino]-3-methoxy-2-methylpropanoic acid
CID 120688623
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid (CID 115910285) is 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
The InChIKey is JMUDFXZAJJBUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)6-8(13)12-11(4,7-16-5)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid?
2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115910285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).