ethyl (2R)-2-amino-3-sulfanylpropanoate

C5H11NO2S — CID 13359

IUPACethyl (2R)-2-amino-3-sulfanylpropanoate
SMILESCCOC(=O)[C@@H](N)CS
InChIInChI=1S/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyYVKSGVDJQXLXDV-BYPYZUCNSA-N
MW149.22 g/mol
LogP-0.19
Rot. Bonds3

About ethyl (2R)-2-amino-3-sulfanylpropanoate

ethyl (2R)-2-amino-3-sulfanylpropanoate (PubChem CID 13359) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-sulfanylpropanoate
PubChem CID13359
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Nameethyl (2R)-2-amino-3-sulfanylpropanoate
SMILESCCOC(=O)[C@@H](N)CS
InChIInChI=1S/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyYVKSGVDJQXLXDV-BYPYZUCNSA-N
XLogP-0.19
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

L-Cysteine, methyl ester
CID 29145
L-Cysteine, methyl ester, hydrochloride
CID 2733208
Ethyl cysteinate hydrochloride
CID 2723617
Cysteine, methyl ester, hydrochloride (1:1)
CID 21951
Methyl DL-cysteinate
CID 4040
L-Methionine, ethyl ester
CID 76508
Ethyl DL-methionate
CID 413279
Ethitanin
CID 13358
Visclair
CID 29144
D-Cysteine Methyl Ester Hydrochloride
CID 637545
NoName_3047
CID 69236
L-Alanine ethyl ester
CID 76507

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-sulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-amino-3-sulfanylpropanoate (CID 13359) is ethyl (2R)-2-amino-3-sulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-sulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-sulfanylpropanoate is CCOC(=O)[C@@H](N)CS.
What is the InChIKey of ethyl (2R)-2-amino-3-sulfanylpropanoate?
The InChIKey is YVKSGVDJQXLXDV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3/t4-/m0/s1.
What are the key properties of ethyl (2R)-2-amino-3-sulfanylpropanoate?
ethyl (2R)-2-amino-3-sulfanylpropanoate has a molecular weight of 149.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 13359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).