methyl 3-amino-2,2-dimethylpropanoate

C6H13NO2 — CID 13285789

IUPACmethyl 3-amino-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN
InChIInChI=1S/C6H13NO2/c1-6(2,4-7)5(8)9-3/h4,7H2,1-3H3
InChIKeyYAVPDSQCYSZORP-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.14
Rot. Bonds2

About methyl 3-amino-2,2-dimethylpropanoate

methyl 3-amino-2,2-dimethylpropanoate (PubChem CID 13285789) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is methyl 3-amino-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-amino-2,2-dimethylpropanoate
PubChem CID13285789
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namemethyl 3-amino-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN
InChIInChI=1S/C6H13NO2/c1-6(2,4-7)5(8)9-3/h4,7H2,1-3H3
InChIKeyYAVPDSQCYSZORP-UHFFFAOYSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-amino-2,2-dimethylpropanoate (CID 13285789) is methyl 3-amino-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-amino-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-amino-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN.
What is the InChIKey of methyl 3-amino-2,2-dimethylpropanoate?
The InChIKey is YAVPDSQCYSZORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,4-7)5(8)9-3/h4,7H2,1-3H3.
What are the key properties of methyl 3-amino-2,2-dimethylpropanoate?
methyl 3-amino-2,2-dimethylpropanoate has a molecular weight of 131.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-dimethylpropanoate is sourced from PubChem (CID 13285789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).