ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate

C10H19NO3S — CID 3112543

IUPACethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate
SMILESCCOC(=O)C(N)CSC1CCCCO1
InChIInChI=1S/C10H19NO3S/c1-2-13-10(12)8(11)7-15-9-5-3-4-6-14-9/h8-9H,2-7,11H2,1H3
InChIKeyQGZKVZJVXAQCSO-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate

ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate (PubChem CID 3112543) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate
PubChem CID3112543
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate
SMILESCCOC(=O)C(N)CSC1CCCCO1
InChIInChI=1S/C10H19NO3S/c1-2-13-10(12)8(11)7-15-9-5-3-4-6-14-9/h8-9H,2-7,11H2,1H3
InChIKeyQGZKVZJVXAQCSO-UHFFFAOYSA-N
XLogP1.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate (CID 3112543) is ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate is CCOC(=O)C(N)CSC1CCCCO1.
What is the InChIKey of ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate?
The InChIKey is QGZKVZJVXAQCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-13-10(12)8(11)7-15-9-5-3-4-6-14-9/h8-9H,2-7,11H2,1H3.
What are the key properties of ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate?
ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate has a molecular weight of 233.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate is sourced from PubChem (CID 3112543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).