ethyl 3-aminohexanoate;hydrochloride

C8H18ClNO2 — CID 75530735

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

About ethyl 3-aminohexanoate;hydrochloride

ethyl 3-aminohexanoate;hydrochloride (PubChem CID 75530735) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is ethyl 3-aminohexanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-aminohexanoate;hydrochloride
PubChem CID75530735
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameethyl 3-aminohexanoate;hydrochloride
SMILESCCCC(N)CC(=O)OCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-7(9)6-8(10)11-4-2;/h7H,3-6,9H2,1-2H3;1H
InChIKeyRJNLWXVORNLJGW-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 6-aminohexanoate
CID 406972
Ethyl L-lysinate dihydrochloride
CID 107468
Ethyl 6-aminohexanoate hydrochloride
CID 458476
epsilon-Aminocaproic acid hexyl ester
CID 3081943
Ethyl 2,6-diaminohexanoate dihydrochloride
CID 2738124
Ethyl 3-amino-5-methylhexanoate hydrochloride
CID 18321690
Methyl 3-aminohexanoate hydrochloride
CID 71757831
Methyl 4-aminohexanoate hydrochloride
CID 87721090
methyl (3S)-3-amino-5-methylhexanoate hydrochloride
CID 137698660
methyl (3R,4S)-3-amino-4-methylhexanoate hydrochloride
CID 137951694
ethyl (3S)-3-amino-3-cyclopropylpropanoate hydrochloride
CID 137951857
(R)-ethyl 3-amino-3-cyclopropylpropanoate hydrochloride
CID 137951915

Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminohexanoate;hydrochloride?
The IUPAC name of ethyl 3-aminohexanoate;hydrochloride (CID 75530735) is ethyl 3-aminohexanoate;hydrochloride.
What is the SMILES notation for ethyl 3-aminohexanoate;hydrochloride?
The canonical SMILES for ethyl 3-aminohexanoate;hydrochloride is CCCC(N)CC(=O)OCC.Cl.
What is the InChIKey of ethyl 3-aminohexanoate;hydrochloride?
The InChIKey is RJNLWXVORNLJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-3-5-7(9)6-8(10)11-4-2;/h7H,3-6,9H2,1-2H3;1H.
What are the key properties of ethyl 3-aminohexanoate;hydrochloride?
ethyl 3-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 3-aminohexanoate;hydrochloride is sourced from PubChem (CID 75530735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).