ethyl 2-aminohexanoate;hydrochloride

C8H18ClNO2 — CID 18387178

IUPACethyl 2-aminohexanoate;hydrochloride
SMILESCCCCC(N)C(=O)OCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-6-7(9)8(10)11-4-2;/h7H,3-6,9H2,1-2H3;1H
InChIKeySHKMMWRRLVGMOV-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-aminohexanoate;hydrochloride

ethyl 2-aminohexanoate;hydrochloride (PubChem CID 18387178) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is ethyl 2-aminohexanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-aminohexanoate;hydrochloride
PubChem CID18387178
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-aminohexanoate;hydrochloride
SMILESCCCCC(N)C(=O)OCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-6-7(9)8(10)11-4-2;/h7H,3-6,9H2,1-2H3;1H
InChIKeySHKMMWRRLVGMOV-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
methyl (2S)-2-aminohexanoate
CID 7018840
hexadecyl (2S)-2-aminohexanoate
CID 10808138
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate
CID 170769855
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminohexanoate;hydrochloride?
The IUPAC name of ethyl 2-aminohexanoate;hydrochloride (CID 18387178) is ethyl 2-aminohexanoate;hydrochloride.
What is the SMILES notation for ethyl 2-aminohexanoate;hydrochloride?
The canonical SMILES for ethyl 2-aminohexanoate;hydrochloride is CCCCC(N)C(=O)OCC.Cl.
What is the InChIKey of ethyl 2-aminohexanoate;hydrochloride?
The InChIKey is SHKMMWRRLVGMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-3-5-6-7(9)8(10)11-4-2;/h7H,3-6,9H2,1-2H3;1H.
What are the key properties of ethyl 2-aminohexanoate;hydrochloride?
ethyl 2-aminohexanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminohexanoate;hydrochloride is sourced from PubChem (CID 18387178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).