ethyl 3-amino-2-methylpropanoate

C6H13NO2 — CID 11182624

IUPACethyl 3-amino-2-methylpropanoate
SMILESCCOC(=O)C(C)CN
InChIInChI=1S/C6H13NO2/c1-3-9-6(8)5(2)4-7/h5H,3-4,7H2,1-2H3
InChIKeyXBEVGFLLWVWHCF-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.14
Rot. Bonds3

About ethyl 3-amino-2-methylpropanoate

ethyl 3-amino-2-methylpropanoate (PubChem CID 11182624) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-amino-2-methylpropanoate
PubChem CID11182624
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl 3-amino-2-methylpropanoate
SMILESCCOC(=O)C(C)CN
InChIInChI=1S/C6H13NO2/c1-3-9-6(8)5(2)4-7/h5H,3-4,7H2,1-2H3
InChIKeyXBEVGFLLWVWHCF-UHFFFAOYSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-methylpropanoate?
The IUPAC name of ethyl 3-amino-2-methylpropanoate (CID 11182624) is ethyl 3-amino-2-methylpropanoate.
What is the SMILES notation for ethyl 3-amino-2-methylpropanoate?
The canonical SMILES for ethyl 3-amino-2-methylpropanoate is CCOC(=O)C(C)CN.
What is the InChIKey of ethyl 3-amino-2-methylpropanoate?
The InChIKey is XBEVGFLLWVWHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-9-6(8)5(2)4-7/h5H,3-4,7H2,1-2H3.
What are the key properties of ethyl 3-amino-2-methylpropanoate?
ethyl 3-amino-2-methylpropanoate has a molecular weight of 131.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-methylpropanoate is sourced from PubChem (CID 11182624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).