ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate

C9H16N2O3 — CID 97303072

IUPACethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate
SMILESCCOC(=O)CO[C@H]1CCCN=C1N
InChIInChI=1S/C9H16N2O3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h7H,2-6H2,1H3,(H2,10,11)/t7-/m0/s1
InChIKeyPKNMEVWUZDHHLO-ZETCQYMHSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds4

About ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate

ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate (PubChem CID 97303072) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate
PubChem CID97303072
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate
SMILESCCOC(=O)CO[C@H]1CCCN=C1N
InChIInChI=1S/C9H16N2O3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h7H,2-6H2,1H3,(H2,10,11)/t7-/m0/s1
InChIKeyPKNMEVWUZDHHLO-ZETCQYMHSA-N
XLogP0.09
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate (CID 97303072) is ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate is CCOC(=O)CO[C@H]1CCCN=C1N.
What is the InChIKey of ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate?
The InChIKey is PKNMEVWUZDHHLO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h7H,2-6H2,1H3,(H2,10,11)/t7-/m0/s1.
What are the key properties of ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate?
ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate has a molecular weight of 200.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate is sourced from PubChem (CID 97303072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).