ethyl 3-amino-2-methylpropanoate;hydrochloride

C6H14ClNO2 — CID 19611788

IUPACethyl 3-amino-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-9-6(8)5(2)4-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyJTJMQKNQRBCBJR-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.57
Rot. Bonds3

About ethyl 3-amino-2-methylpropanoate;hydrochloride

ethyl 3-amino-2-methylpropanoate;hydrochloride (PubChem CID 19611788) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl 3-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-2-methylpropanoate;hydrochloride
PubChem CID19611788
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl 3-amino-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-9-6(8)5(2)4-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyJTJMQKNQRBCBJR-UHFFFAOYSA-N
XLogP0.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.57
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;hydrochloride?
The IUPAC name of ethyl 3-amino-2-methylpropanoate;hydrochloride (CID 19611788) is ethyl 3-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)CN.Cl.
What is the InChIKey of ethyl 3-amino-2-methylpropanoate;hydrochloride?
The InChIKey is JTJMQKNQRBCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-9-6(8)5(2)4-7;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of ethyl 3-amino-2-methylpropanoate;hydrochloride?
ethyl 3-amino-2-methylpropanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.57, 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;hydrochloride is sourced from PubChem (CID 19611788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).