2-(ethylamino)-3-methylbutanoic acid;hydrochloride

C7H16ClNO2 — CID 50988233

IUPAC2-(ethylamino)-3-methylbutanoic acid;hydrochloride
SMILESCCNC(C(=O)O)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-8-6(5(2)3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H
InChIKeyJWLYHFJTSCYZOZ-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.13
Rot. Bonds4

About 2-(ethylamino)-3-methylbutanoic acid;hydrochloride

2-(ethylamino)-3-methylbutanoic acid;hydrochloride (PubChem CID 50988233) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 2-(ethylamino)-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)-3-methylbutanoic acid;hydrochloride
PubChem CID50988233
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name2-(ethylamino)-3-methylbutanoic acid;hydrochloride
SMILESCCNC(C(=O)O)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-8-6(5(2)3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H
InChIKeyJWLYHFJTSCYZOZ-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methylbutanoic acid;hydrochloride?
The IUPAC name of 2-(ethylamino)-3-methylbutanoic acid;hydrochloride (CID 50988233) is 2-(ethylamino)-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 2-(ethylamino)-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for 2-(ethylamino)-3-methylbutanoic acid;hydrochloride is CCNC(C(=O)O)C(C)C.Cl.
What is the InChIKey of 2-(ethylamino)-3-methylbutanoic acid;hydrochloride?
The InChIKey is JWLYHFJTSCYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-8-6(5(2)3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H.
What are the key properties of 2-(ethylamino)-3-methylbutanoic acid;hydrochloride?
2-(ethylamino)-3-methylbutanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 50988233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).