ethyl 2-aminohexanoate

C8H17NO2 — CID 533902

IUPACethyl 2-aminohexanoate
SMILESCCCCC(N)C(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6,9H2,1-2H3
InChIKeyNOLURLQNLRYBJS-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds5

About ethyl 2-aminohexanoate

ethyl 2-aminohexanoate (PubChem CID 533902) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 2-aminohexanoate.

Molecular Properties

Compound Nameethyl 2-aminohexanoate
PubChem CID533902
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 2-aminohexanoate
SMILESCCCCC(N)C(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6,9H2,1-2H3
InChIKeyNOLURLQNLRYBJS-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-2-aminohexanoic acid
CID 6991974
Methyl L-lysinate dihydrochloride
CID 117778
D-norleucine zwitterion
CID 6999776
O-Methyl-L-norleucine
CID 7018840
Methyl Aminolaurate
CID 11579518
Methyl 2-Aminodecanoate
CID 14482566
Ethyl 6-aminohexanoate
CID 406972
Methyl 2,6-diaminohexanoate
CID 102467
Methyl 2-aminohexanoate
CID 559296
Ethyl L-lysinate dihydrochloride
CID 107468
L-Norvaline, ethyl ester, hydrochloride (1:1)
CID 12631224
Ethyl 6-aminohexanoate hydrochloride
CID 458476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminohexanoate?
The IUPAC name of ethyl 2-aminohexanoate (CID 533902) is ethyl 2-aminohexanoate.
What is the SMILES notation for ethyl 2-aminohexanoate?
The canonical SMILES for ethyl 2-aminohexanoate is CCCCC(N)C(=O)OCC.
What is the InChIKey of ethyl 2-aminohexanoate?
The InChIKey is NOLURLQNLRYBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6,9H2,1-2H3.
What are the key properties of ethyl 2-aminohexanoate?
ethyl 2-aminohexanoate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminohexanoate is sourced from PubChem (CID 533902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).