ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate

C10H14N2O2 — CID 10081333

IUPACethyl (3S)-3-amino-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)C[C@H](N)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8/h3-5,7,9H,2,6,11H2,1H3/t9-/m0/s1
InChIKeySUOOQSWLTJJSDK-VIFPVBQESA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds4

About ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate

ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate (PubChem CID 10081333) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-pyridin-3-ylpropanoate
PubChem CID10081333
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl (3S)-3-amino-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)C[C@H](N)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8/h3-5,7,9H,2,6,11H2,1H3/t9-/m0/s1
InChIKeySUOOQSWLTJJSDK-VIFPVBQESA-N
XLogP1.03
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate (CID 10081333) is ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate is CCOC(=O)C[C@H](N)c1cccnc1.
What is the InChIKey of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate?
The InChIKey is SUOOQSWLTJJSDK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8/h3-5,7,9H,2,6,11H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate?
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 10081333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).