ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate

C10H20N2O4S2 — CID 140519471

IUPACethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate
SMILESCCOC(=O)C(N)CS(=S)C[C@H](N)C(=O)OCC
InChIInChI=1S/C10H20N2O4S2/c1-3-15-9(13)7(11)5-18(17)6-8(12)10(14)16-4-2/h7-8H,3-6,11-12H2,1-2H3/t7-,8?,18?/m0/s1
InChIKeyHTWTWEZUJNGLDX-QEHHLIOKSA-N
MW296.41 g/mol
LogP-1.15
Rot. Bonds8

About ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate

ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate (PubChem CID 140519471) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate
PubChem CID140519471
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Nameethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate
SMILESCCOC(=O)C(N)CS(=S)C[C@H](N)C(=O)OCC
InChIInChI=1S/C10H20N2O4S2/c1-3-15-9(13)7(11)5-18(17)6-8(12)10(14)16-4-2/h7-8H,3-6,11-12H2,1-2H3/t7-,8?,18?/m0/s1
InChIKeyHTWTWEZUJNGLDX-QEHHLIOKSA-N
XLogP-1.15
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
CID 6993069
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl (2S)-2-amino-3-(methylamino)propanoate
CID 59103878
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
ethyl (2S)-2-amino-4-methylhexanoate
CID 86635246
ethyl (2R)-2-amino-4-methylpent-4-enoate
CID 14163093
ethyl (2S)-2-amino-3-propan-2-yloxypropanoate
CID 94053176
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate?
The IUPAC name of ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate (CID 140519471) is ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate is CCOC(=O)C(N)CS(=S)C[C@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate?
The InChIKey is HTWTWEZUJNGLDX-QEHHLIOKSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-3-15-9(13)7(11)5-18(17)6-8(12)10(14)16-4-2/h7-8H,3-6,11-12H2,1-2H3/t7-,8?,18?/m0/s1.
What are the key properties of ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate?
ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate has a molecular weight of 296.41 g/mol, XLogP of -1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate is sourced from PubChem (CID 140519471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).