methyl 4-aminohexanoate;hydrochloride

C7H16ClNO2 — CID 87721090

IUPACmethyl 4-aminohexanoate;hydrochloride
SMILESCCC(N)CCC(=O)OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-6(8)4-5-7(9)10-2;/h6H,3-5,8H2,1-2H3;1H
InChIKeyCRUSHBXZIABOPL-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds4

About methyl 4-aminohexanoate;hydrochloride

methyl 4-aminohexanoate;hydrochloride (PubChem CID 87721090) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl 4-aminohexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-aminohexanoate;hydrochloride
PubChem CID87721090
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl 4-aminohexanoate;hydrochloride
SMILESCCC(N)CCC(=O)OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-6(8)4-5-7(9)10-2;/h6H,3-5,8H2,1-2H3;1H
InChIKeyCRUSHBXZIABOPL-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-aminohexanoate;hydrochloride?
The IUPAC name of methyl 4-aminohexanoate;hydrochloride (CID 87721090) is methyl 4-aminohexanoate;hydrochloride.
What is the SMILES notation for methyl 4-aminohexanoate;hydrochloride?
The canonical SMILES for methyl 4-aminohexanoate;hydrochloride is CCC(N)CCC(=O)OC.Cl.
What is the InChIKey of methyl 4-aminohexanoate;hydrochloride?
The InChIKey is CRUSHBXZIABOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-6(8)4-5-7(9)10-2;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of methyl 4-aminohexanoate;hydrochloride?
methyl 4-aminohexanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminohexanoate;hydrochloride is sourced from PubChem (CID 87721090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).