methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride

C8H12ClNO2S — CID 171249952

IUPACmethyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccsc1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-11-8(10)4-7(9)6-2-3-12-5-6;/h2-3,5,7H,4,9H2,1H3;1H/t7-;/m1./s1
InChIKeyHSVUZLQFTLPROI-OGFXRTJISA-N
MW221.71 g/mol
LogP1.73
Rot. Bonds3

About methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride

methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride (PubChem CID 171249952) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
PubChem CID171249952
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Namemethyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccsc1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-11-8(10)4-7(9)6-2-3-12-5-6;/h2-3,5,7H,4,9H2,1H3;1H/t7-;/m1./s1
InChIKeyHSVUZLQFTLPROI-OGFXRTJISA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate
CID 118184249
methyl 4-amino-3-thiophen-3-ylbutanoate
CID 101126903
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
CID 79013708
methyl (3R)-3-amino-3-[4-(difluoromethyl)phenyl]propanoate
CID 79018359
methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride
CID 171244280
methyl 4-[(1R)-1-amino-3-methoxy-3-oxopropyl]benzoate
CID 171250582
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
3-methylidene-1-thiophen-3-ylpentan-1-amine
CID 66044101

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride (CID 171249952) is methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride is COC(=O)C[C@@H](N)c1ccsc1.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride?
The InChIKey is HSVUZLQFTLPROI-OGFXRTJISA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-11-8(10)4-7(9)6-2-3-12-5-6;/h2-3,5,7H,4,9H2,1H3;1H/t7-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride?
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride is sourced from PubChem (CID 171249952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).