methyl 3-amino-5-methylhexanoate;hydrochloride

C8H18ClNO2 — CID 71307027

IUPACmethyl 3-amino-5-methylhexanoate;hydrochloride
SMILESCOC(=O)CC(N)CC(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9)5-8(10)11-3;/h6-7H,4-5,9H2,1-3H3;1H
InChIKeySQRWBBUFBOLLSY-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.34
Rot. Bonds4

About methyl 3-amino-5-methylhexanoate;hydrochloride

methyl 3-amino-5-methylhexanoate;hydrochloride (PubChem CID 71307027) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl 3-amino-5-methylhexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-5-methylhexanoate;hydrochloride
PubChem CID71307027
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl 3-amino-5-methylhexanoate;hydrochloride
SMILESCOC(=O)CC(N)CC(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9)5-8(10)11-3;/h6-7H,4-5,9H2,1-3H3;1H
InChIKeySQRWBBUFBOLLSY-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methylhexanoate;hydrochloride?
The IUPAC name of methyl 3-amino-5-methylhexanoate;hydrochloride (CID 71307027) is methyl 3-amino-5-methylhexanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-5-methylhexanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-5-methylhexanoate;hydrochloride is COC(=O)CC(N)CC(C)C.Cl.
What is the InChIKey of methyl 3-amino-5-methylhexanoate;hydrochloride?
The InChIKey is SQRWBBUFBOLLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9)5-8(10)11-3;/h6-7H,4-5,9H2,1-3H3;1H.
What are the key properties of methyl 3-amino-5-methylhexanoate;hydrochloride?
methyl 3-amino-5-methylhexanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methylhexanoate;hydrochloride is sourced from PubChem (CID 71307027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).