(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate

C9H16NO4- — CID 156619683

IUPAC(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)C[C@@](C)(N)C(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/p-1/t9-/m1/s1
InChIKeyVIQZVYPYYUPDQY-SECBINFHSA-M
MW202.23 g/mol
LogP-0.81
Rot. Bonds3

About (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate

(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate (PubChem CID 156619683) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
PubChem CID156619683
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)C[C@@](C)(N)C(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/p-1/t9-/m1/s1
InChIKeyVIQZVYPYYUPDQY-SECBINFHSA-M
XLogP-0.81
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3,4-diamino-3-methyl-4-oxobutanoate
CID 56999618
tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
4-O-tert-butyl 1-O-methyl 2,2-diaminobutanedioate
CID 54473599
azanium 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
CID 11658375
tert-butyl 4-amino-3,3-dimethyl-4-sulfanylidenebutanoate
CID 159433945
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
CID 87168072
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
tert-butyl 3-(tert-butylamino)-3-methylbutanoate
CID 173368452
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565
ditert-butyl pentanedioate
CID 3016405
tert-butyl propanoate;hydrobromide
CID 172778720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate?
The IUPAC name of (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate (CID 156619683) is (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate?
The canonical SMILES for (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate is CC(C)(C)OC(=O)C[C@@](C)(N)C(=O)[O-].
What is the InChIKey of (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate?
The InChIKey is VIQZVYPYYUPDQY-SECBINFHSA-M. The full InChI is InChI=1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/p-1/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate?
(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate has a molecular weight of 202.23 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate is sourced from PubChem (CID 156619683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).