methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate

C8H11NO3S — CID 19756647

IUPACmethyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
SMILESCOC(=O)C(O)C(N)c1ccsc1
InChIInChI=1S/C8H11NO3S/c1-12-8(11)7(10)6(9)5-2-3-13-4-5/h2-4,6-7,10H,9H2,1H3
InChIKeyAZNHQCUZVPGSEE-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.28
Rot. Bonds3

About methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate

methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate (PubChem CID 19756647) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
PubChem CID19756647
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Namemethyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
SMILESCOC(=O)C(O)C(N)c1ccsc1
InChIInChI=1S/C8H11NO3S/c1-12-8(11)7(10)6(9)5-2-3-13-4-5/h2-4,6-7,10H,9H2,1H3
InChIKeyAZNHQCUZVPGSEE-UHFFFAOYSA-N
XLogP0.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl (2R)-2-methyl-3-sulfanyl-3-thiophen-3-ylpropanoate
CID 59948768
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
methyl 2-acetylsulfanyl-2-thiophen-3-ylacetate
CID 11138963
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
3-amino-2,3-di(thiophen-3-yl)propanoic acid
CID 170871482
methyl 4-amino-3-thiophen-3-ylbutanoate
CID 101126903
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate?
The IUPAC name of methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate (CID 19756647) is methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate.
What is the SMILES notation for methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate?
The canonical SMILES for methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate is COC(=O)C(O)C(N)c1ccsc1.
What is the InChIKey of methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate?
The InChIKey is AZNHQCUZVPGSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-8(11)7(10)6(9)5-2-3-13-4-5/h2-4,6-7,10H,9H2,1H3.
What are the key properties of methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate?
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate has a molecular weight of 201.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate is sourced from PubChem (CID 19756647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).