(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate

C10H15NO4 — CID 174425463

IUPAC(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate
SMILESC#CC(C)(N)C(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-6-10(5,11)7(12)14-8(13)15-9(2,3)4/h1H,11H2,2-5H3
InChIKeyVSRZNQHDFPHVGH-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.82
Rot. Bonds1

About (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate

(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate (PubChem CID 174425463) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate
PubChem CID174425463
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate
SMILESC#CC(C)(N)C(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-6-10(5,11)7(12)14-8(13)15-9(2,3)4/h1H,11H2,2-5H3
InChIKeyVSRZNQHDFPHVGH-UHFFFAOYSA-N
XLogP0.82
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methylpropan-2-yl)oxycarbonyl 2-aminopent-4-ynoate
CID 56982899
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-prop-2-ynylcarbamate
CID 161111574
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-benzyl-3-phenylpropanoate
CID 19011409
sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
ditert-butyl 4-amino-4-methylpent-2-ynedioate
CID 91256516
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
CID 88521805
tert-butyl hydroxy carbonate
CID 19428429
2-aminopropan-2-yl 2-amino-2-methylpropanoate
CID 163435102
(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate
CID 174535186

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate (CID 174425463) is (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate is C#CC(C)(N)C(=O)OC(=O)OC(C)(C)C.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate?
The InChIKey is VSRZNQHDFPHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-10(5,11)7(12)14-8(13)15-9(2,3)4/h1H,11H2,2-5H3.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate?
(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate has a molecular weight of 213.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl 2-amino-2-methylbut-3-ynoate is sourced from PubChem (CID 174425463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).