methyl 6-aminohexanoate;hydrochloride

C7H16ClNO2 — CID 11499324

IUPACmethyl 6-aminohexanoate;hydrochloride
SMILESCOC(=O)CCCCCN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-10-7(9)5-3-2-4-6-8;/h2-6,8H2,1H3;1H
InChIKeyYSLDOTFAFZJPOC-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds5

About methyl 6-aminohexanoate;hydrochloride

methyl 6-aminohexanoate;hydrochloride (PubChem CID 11499324) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl 6-aminohexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-aminohexanoate;hydrochloride
PubChem CID11499324
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl 6-aminohexanoate;hydrochloride
SMILESCOC(=O)CCCCCN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-10-7(9)5-3-2-4-6-8;/h2-6,8H2,1H3;1H
InChIKeyYSLDOTFAFZJPOC-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Azaniumylhexanoate
CID 517030
Methyl L-lysinate dihydrochloride
CID 117778
hexanoic acid, 6-amino-, monosodium salt
CID 23663648
Amiocaproic acid
CID 5460263
O-Methyl-L-norleucine
CID 7018840
Ethyl 6-aminohexanoate
CID 406972
Methyl 2,6-diaminohexanoate
CID 102467
Methyl 2-aminohexanoate
CID 559296
Methyl 6-aminohexanoate
CID 1810164
Methyl 8-aminooctanoate
CID 12878163
Methyl 8-aminooctanoate hydrochloride
CID 12878164
Methyl 5-aminopentanoate hydrochloride
CID 13672034

Frequently Asked Questions

What is the IUPAC name of methyl 6-aminohexanoate;hydrochloride?
The IUPAC name of methyl 6-aminohexanoate;hydrochloride (CID 11499324) is methyl 6-aminohexanoate;hydrochloride.
What is the SMILES notation for methyl 6-aminohexanoate;hydrochloride?
The canonical SMILES for methyl 6-aminohexanoate;hydrochloride is COC(=O)CCCCCN.Cl.
What is the InChIKey of methyl 6-aminohexanoate;hydrochloride?
The InChIKey is YSLDOTFAFZJPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-10-7(9)5-3-2-4-6-8;/h2-6,8H2,1H3;1H.
What are the key properties of methyl 6-aminohexanoate;hydrochloride?
methyl 6-aminohexanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-aminohexanoate;hydrochloride is sourced from PubChem (CID 11499324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).