(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid

C9H17NO4 — CID 91435919

IUPAC(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)[C@H](N)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)5(7(11)12)6(10)8(13)14-4/h5-6H,10H2,1-4H3,(H,11,12)/t5?,6-/m1/s1
InChIKeyGEHHJSVMZQTDAT-PRJDIBJQSA-N
MW203.24 g/mol
LogP0.23
Rot. Bonds3

About (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid

(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid (PubChem CID 91435919) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
PubChem CID91435919
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)[C@H](N)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)5(7(11)12)6(10)8(13)14-4/h5-6H,10H2,1-4H3,(H,11,12)/t5?,6-/m1/s1
InChIKeyGEHHJSVMZQTDAT-PRJDIBJQSA-N
XLogP0.23
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methoxycarbonyl-4,4-dimethylpentanoic acid;hydrochloride
CID 174430219
(2R)-2-amino-3-tert-butylbutanedioic acid;methane
CID 87326653
2-tert-butyl-4-methoxy-3-(methoxycarbonylamino)-4-oxobutanoic acid
CID 174388659
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
CID 11370186
2-amino-3-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175598067
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid (CID 91435919) is (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid is COC(=O)[C@H](N)C(C(=O)O)C(C)(C)C.
What is the InChIKey of (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid?
The InChIKey is GEHHJSVMZQTDAT-PRJDIBJQSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)5(7(11)12)6(10)8(13)14-4/h5-6H,10H2,1-4H3,(H,11,12)/t5?,6-/m1/s1.
What are the key properties of (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid?
(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 91435919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).