(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate

C9H17NO4 — CID 174535186

IUPAC(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(5-10)7(11)13-8(12)14-9(2,3)4/h6H,5,10H2,1-4H3
InChIKeyUFTAXDUSWOMWEV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.06
Rot. Bonds2

About (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate

(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate (PubChem CID 174535186) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate
PubChem CID174535186
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(5-10)7(11)13-8(12)14-9(2,3)4/h6H,5,10H2,1-4H3
InChIKeyUFTAXDUSWOMWEV-UHFFFAOYSA-N
XLogP1.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-3-methylbutanoate
CID 88521805
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
(2-methylpropan-2-yl)oxycarbonyl 2-aminopent-4-ynoate
CID 56982899
(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720891
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;propan-1-amine
CID 160721898
azane;(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720947
1-O-tert-butyl 5-O-[(2-methylpropan-2-yl)oxycarbonyl] (2S)-2-aminopentanedioate
CID 122423644
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
propan-2-yl (2S)-3-amino-2-methylpropanoate
CID 94542950

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate (CID 174535186) is (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate is CC(CN)C(=O)OC(=O)OC(C)(C)C.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate?
The InChIKey is UFTAXDUSWOMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(5-10)7(11)13-8(12)14-9(2,3)4/h6H,5,10H2,1-4H3.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate?
(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate has a molecular weight of 203.24 g/mol, XLogP of 1.06, 2 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 3-amino-2-methylpropanoate is sourced from PubChem (CID 174535186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).