(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate

C10H19NO5 — CID 88521805

IUPAC(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H](N)C(C)(C)O
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(13)15-7(12)6(11)10(4,5)14/h6,14H,11H2,1-5H3/t6-/m1/s1
InChIKeyXYBYDOHYSZOENZ-ZCFIWIBFSA-N
MW233.26 g/mol
LogP0.56
Rot. Bonds2

About (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate

(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate (PubChem CID 88521805) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
PubChem CID88521805
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H](N)C(C)(C)O
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(13)15-7(12)6(11)10(4,5)14/h6,14H,11H2,1-5H3/t6-/m1/s1
InChIKeyXYBYDOHYSZOENZ-ZCFIWIBFSA-N
XLogP0.56
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759
(2-methylpropan-2-yl)oxycarbonyl 2-aminopent-4-ynoate
CID 56982899
(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate
CID 174535186
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
1-O-tert-butyl 5-O-[(2-methylpropan-2-yl)oxycarbonyl] (2S)-2-aminopentanedioate
CID 122423644
(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720891
sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
azane;(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720947
(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one
CID 88908613
tert-butyl hydroxy carbonate
CID 19428429

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate (CID 88521805) is (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate is CC(C)(C)OC(=O)OC(=O)[C@@H](N)C(C)(C)O.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is XYBYDOHYSZOENZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2,3)16-8(13)15-7(12)6(11)10(4,5)14/h6,14H,11H2,1-5H3/t6-/m1/s1.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate?
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 233.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 88521805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).