ethyl 4-amino-3-methylbutanoate;hydrochloride

C7H16ClNO2 — CID 71757460

IUPACethyl 4-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)CC(C)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7(9)4-6(2)5-8;/h6H,3-5,8H2,1-2H3;1H
InChIKeyCGGZZAHNIGMEEU-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.96
Rot. Bonds4

About ethyl 4-amino-3-methylbutanoate;hydrochloride

ethyl 4-amino-3-methylbutanoate;hydrochloride (PubChem CID 71757460) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 4-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-3-methylbutanoate;hydrochloride
PubChem CID71757460
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 4-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)CC(C)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7(9)4-6(2)5-8;/h6H,3-5,8H2,1-2H3;1H
InChIKeyCGGZZAHNIGMEEU-UHFFFAOYSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of ethyl 4-amino-3-methylbutanoate;hydrochloride (CID 71757460) is ethyl 4-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for ethyl 4-amino-3-methylbutanoate;hydrochloride is CCOC(=O)CC(C)CN.Cl.
What is the InChIKey of ethyl 4-amino-3-methylbutanoate;hydrochloride?
The InChIKey is CGGZZAHNIGMEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-10-7(9)4-6(2)5-8;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of ethyl 4-amino-3-methylbutanoate;hydrochloride?
ethyl 4-amino-3-methylbutanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 71757460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).