methyl (2S)-2-aminohexanoate;hydrochloride

C7H16ClNO2 — CID 14039065

IUPACmethyl (2S)-2-aminohexanoate;hydrochloride
SMILESCCCC[C@H](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/t6-;/m0./s1
InChIKeyFMMOVZRXLNVNBI-RGMNGODLSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds4

About methyl (2S)-2-aminohexanoate;hydrochloride

methyl (2S)-2-aminohexanoate;hydrochloride (PubChem CID 14039065) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl (2S)-2-aminohexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-aminohexanoate;hydrochloride
PubChem CID14039065
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl (2S)-2-aminohexanoate;hydrochloride
SMILESCCCC[C@H](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/t6-;/m0./s1
InChIKeyFMMOVZRXLNVNBI-RGMNGODLSA-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 (2S)-2-aminohexanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-aminohexanoate;hydrochloride (CID 14039065) is methyl (2S)-2-aminohexanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-aminohexanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-aminohexanoate;hydrochloride is CCCC[C@H](N)C(=O)OC.Cl.
What is the InChIKey of methyl (2S)-2-aminohexanoate;hydrochloride?
The InChIKey is FMMOVZRXLNVNBI-RGMNGODLSA-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/t6-;/m0./s1.
What are the key properties of methyl (2S)-2-aminohexanoate;hydrochloride?
methyl (2S)-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 (2S)-2-aminohexanoate;hydrochloride is sourced from PubChem (CID 14039065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).