ethyl 2-amino-3-methylbutanoate;hydrochloride

C7H16ClNO2 — CID 13000942

IUPACethyl 2-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)C(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
InChIKeyPQGVTLQEKCJXKF-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.95
Rot. Bonds3

About ethyl 2-amino-3-methylbutanoate;hydrochloride

ethyl 2-amino-3-methylbutanoate;hydrochloride (PubChem CID 13000942) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 2-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-methylbutanoate;hydrochloride
PubChem CID13000942
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)C(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
InChIKeyPQGVTLQEKCJXKF-UHFFFAOYSA-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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Related Compounds

Methyl 2-amino-4-methylpentanoate hydrochloride
CID 3084016
L-Leucine ethyl ester
CID 75971
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
Valine methyl ester
CID 94285
Methyl valinate hydrochloride
CID 111190
Leucine methyl ester hydrochloride
CID 2723695
Isoleucine methyl ester hydrochloride
CID 11171351
Valine, methyl ester, hydrochloride (1:1)
CID 12498813
Ethyl L-leucinate hydrochloride
CID 158178
l-Valine, ethyl ester
CID 87182
Ethyl L-valinate hydrochloride
CID 87181
Methyl D-valinate hydrochloride
CID 11984198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-methylbutanoate;hydrochloride (CID 13000942) is ethyl 2-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-methylbutanoate;hydrochloride is CCOC(=O)C(N)C(C)C.Cl.
What is the InChIKey of ethyl 2-amino-3-methylbutanoate;hydrochloride?
The InChIKey is PQGVTLQEKCJXKF-UHFFFAOYSA-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.
What are the key properties of ethyl 2-amino-3-methylbutanoate;hydrochloride?
ethyl 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 2-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 13000942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).