ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride

C10H16ClNO2S2 — CID 70050788

IUPACethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CSCc1ccsc1.Cl
InChIInChI=1S/C10H15NO2S2.ClH/c1-2-13-10(12)9(11)7-15-6-8-3-4-14-5-8;/h3-5,9H,2,6-7,11H2,1H3;1H/t9-;/m0./s1
InChIKeyBLMATXWGVXKZPP-FVGYRXGTSA-N
MW281.83 g/mol
LogP2.29
Rot. Bonds6

About ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride

ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride (PubChem CID 70050788) has the molecular formula C10H16ClNO2S2 and a molecular weight of 281.83 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride
PubChem CID70050788
Molecular FormulaC10H16ClNO2S2
Molecular Weight281.83 g/mol
Exact Mass281.03
IUPAC Nameethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CSCc1ccsc1.Cl
InChIInChI=1S/C10H15NO2S2.ClH/c1-2-13-10(12)9(11)7-15-6-8-3-4-14-5-8;/h3-5,9H,2,6-7,11H2,1H3;1H/t9-;/m0./s1
InChIKeyBLMATXWGVXKZPP-FVGYRXGTSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoate
CID 46769500
(2S)-2-amino-3-methyl-3-(thiophen-3-ylmethylsulfanyl)butanoic acid
CID 106443253
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
ethyl 2-amino-3-[(3-cyano-4-fluorophenyl)methylsulfanyl]propanoate
CID 107881654
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
CID 66229730
ethyl 2-amino-3-[(5-bromo-2-pyridinyl)methylsulfanyl]propanoate
CID 104797580
S-(thiophen-3-ylmethyl) ethanethioate
CID 54410946
(2R)-2-amino-3-[(4-propylphenyl)methylsulfanyl]propanoic acid
CID 15453666
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
CID 6993069
ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride?
The IUPAC name of ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride (CID 70050788) is ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride?
The canonical SMILES for ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride is CCOC(=O)[C@@H](N)CSCc1ccsc1.Cl.
What is the InChIKey of ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride?
The InChIKey is BLMATXWGVXKZPP-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15NO2S2.ClH/c1-2-13-10(12)9(11)7-15-6-8-3-4-14-5-8;/h3-5,9H,2,6-7,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride?
ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride is sourced from PubChem (CID 70050788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).