methyl 3-amino-2-methylpropanoate

C5H11NO2 — CID 10486829

IUPACmethyl 3-amino-2-methylpropanoate
SMILESCOC(=O)C(C)CN
InChIInChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3
InChIKeyBXGDNKQFNQZCLG-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.25
Rot. Bonds2

About methyl 3-amino-2-methylpropanoate

methyl 3-amino-2-methylpropanoate (PubChem CID 10486829) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-methylpropanoate
PubChem CID10486829
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethyl 3-amino-2-methylpropanoate
SMILESCOC(=O)C(C)CN
InChIInChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3
InChIKeyBXGDNKQFNQZCLG-UHFFFAOYSA-N
XLogP-0.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.25
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-methylpropanoate?
The IUPAC name of methyl 3-amino-2-methylpropanoate (CID 10486829) is methyl 3-amino-2-methylpropanoate.
What is the SMILES notation for methyl 3-amino-2-methylpropanoate?
The canonical SMILES for methyl 3-amino-2-methylpropanoate is COC(=O)C(C)CN.
What is the InChIKey of methyl 3-amino-2-methylpropanoate?
The InChIKey is BXGDNKQFNQZCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3.
What are the key properties of methyl 3-amino-2-methylpropanoate?
methyl 3-amino-2-methylpropanoate has a molecular weight of 117.15 g/mol, XLogP of -0.25, 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-methylpropanoate is sourced from PubChem (CID 10486829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).