methyl 2-aminohexanoate;hydrochloride

C7H16ClNO2 — CID 14039064

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

About methyl 2-aminohexanoate;hydrochloride

methyl 2-aminohexanoate;hydrochloride (PubChem CID 14039064) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl 2-aminohexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminohexanoate;hydrochloride
PubChem CID14039064
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl 2-aminohexanoate;hydrochloride
SMILESCCCCC(N)C(=O)OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,3-5,8H2,1-2H3;1H
InChIKeyFMMOVZRXLNVNBI-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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Related Compounds

(2S)-2-amino-6-azaniumylhexanoate
CID 168007633
CID 71774817
CID 71774817
Lysine zwitterion
CID 122198194
S-2-aminohexanoic acid
CID 6991974
(2S)-2,6-diammoniohexanoate
CID 5460926
methyl (2S)-2-aminopentanoate hydrochloride
CID 14118488
Methyl L-lysinate dihydrochloride
CID 117778
Lysinium(1+)
CID 5242389
D-norleucine zwitterion
CID 6999776
2-Amino-6-azaniumylhexanoate
CID 5248709
L-Norvaline, ethyl ester, hydrochloride (1:1)
CID 12631224
Methyl 2-aminopentanoate
CID 533890

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminohexanoate;hydrochloride?
The IUPAC name of methyl 2-aminohexanoate;hydrochloride (CID 14039064) is methyl 2-aminohexanoate;hydrochloride.
What is the SMILES notation for methyl 2-aminohexanoate;hydrochloride?
The canonical SMILES for methyl 2-aminohexanoate;hydrochloride is CCCCC(N)C(=O)OC.Cl.
What is the InChIKey of methyl 2-aminohexanoate;hydrochloride?
The InChIKey is FMMOVZRXLNVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of methyl 2-aminohexanoate;hydrochloride?
methyl 2-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 2-aminohexanoate;hydrochloride is sourced from PubChem (CID 14039064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).