ethyl (2R)-2-aminohexanoate

C8H17NO2 — CID 10351960

IUPACethyl (2R)-2-aminohexanoate
SMILESCCCC[C@@H](N)C(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyNOLURLQNLRYBJS-SSDOTTSWSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds5

About ethyl (2R)-2-aminohexanoate

ethyl (2R)-2-aminohexanoate (PubChem CID 10351960) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl (2R)-2-aminohexanoate.

Molecular Properties

Compound Nameethyl (2R)-2-aminohexanoate
PubChem CID10351960
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl (2R)-2-aminohexanoate
SMILESCCCC[C@@H](N)C(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyNOLURLQNLRYBJS-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-aminohexanoate?
The IUPAC name of ethyl (2R)-2-aminohexanoate (CID 10351960) is ethyl (2R)-2-aminohexanoate.
What is the SMILES notation for ethyl (2R)-2-aminohexanoate?
The canonical SMILES for ethyl (2R)-2-aminohexanoate is CCCC[C@@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-aminohexanoate?
The InChIKey is NOLURLQNLRYBJS-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-aminohexanoate?
ethyl (2R)-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 (2R)-2-aminohexanoate is sourced from PubChem (CID 10351960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).