3-amino-5-methylhexanoic acid;hydrochloride

C7H16ClNO2 — CID 53396052

IUPAC3-amino-5-methylhexanoic acid;hydrochloride
SMILESCC(C)CC(N)CC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyNXVYPYHWONGEFQ-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.26
Rot. Bonds4

About 3-amino-5-methylhexanoic acid;hydrochloride

3-amino-5-methylhexanoic acid;hydrochloride (PubChem CID 53396052) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-amino-5-methylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-5-methylhexanoic acid;hydrochloride
PubChem CID53396052
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-amino-5-methylhexanoic acid;hydrochloride
SMILESCC(C)CC(N)CC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyNXVYPYHWONGEFQ-UHFFFAOYSA-N
XLogP1.26
TPSA63.32 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylhexanoic acid;hydrochloride?
The IUPAC name of 3-amino-5-methylhexanoic acid;hydrochloride (CID 53396052) is 3-amino-5-methylhexanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-5-methylhexanoic acid;hydrochloride?
The canonical SMILES for 3-amino-5-methylhexanoic acid;hydrochloride is CC(C)CC(N)CC(=O)O.Cl.
What is the InChIKey of 3-amino-5-methylhexanoic acid;hydrochloride?
The InChIKey is NXVYPYHWONGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-amino-5-methylhexanoic acid;hydrochloride?
3-amino-5-methylhexanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylhexanoic acid;hydrochloride is sourced from PubChem (CID 53396052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).