ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride

C7H16ClNO2 — CID 42609611

IUPACethyl (2R)-2-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)[C@H](N)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1
InChIKeyPQGVTLQEKCJXKF-FYZOBXCZSA-N
MW181.66 g/mol
LogP0.95
Rot. Bonds3

About ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride

ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride (PubChem CID 42609611) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-methylbutanoate;hydrochloride
PubChem CID42609611
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl (2R)-2-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)[C@H](N)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1
InChIKeyPQGVTLQEKCJXKF-FYZOBXCZSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride (CID 42609611) is ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride is CCOC(=O)[C@H](N)C(C)C.Cl.
What is the InChIKey of ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The InChIKey is PQGVTLQEKCJXKF-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 42609611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).