methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate

C9H13NO2S — CID 164676208

IUPACmethyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
SMILESCOC(=O)[C@](C)(N)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(10,8(11)12-2)5-7-3-4-13-6-7/h3-4,6H,5,10H2,1-2H3/t9-/m1/s1
InChIKeySXTIMHGRLNJGLZ-SECBINFHSA-N
MW199.28 g/mol
LogP1.18
Rot. Bonds3

About methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate

methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate (PubChem CID 164676208) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
PubChem CID164676208
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
SMILESCOC(=O)[C@](C)(N)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(10,8(11)12-2)5-7-3-4-13-6-7/h3-4,6H,5,10H2,1-2H3/t9-/m1/s1
InChIKeySXTIMHGRLNJGLZ-SECBINFHSA-N
XLogP1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
CID 56972079
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
methyl 2-(aminomethyl)-2-cyclopropyl-4-thiophen-3-ylbutanoate
CID 106489509
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
CID 65146654
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 162423961
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide
CID 118926035
2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
CID 84752460

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate?
The IUPAC name of methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate (CID 164676208) is methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate is COC(=O)[C@](C)(N)Cc1ccsc1.
What is the InChIKey of methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate?
The InChIKey is SXTIMHGRLNJGLZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(10,8(11)12-2)5-7-3-4-13-6-7/h3-4,6H,5,10H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate?
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate has a molecular weight of 199.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate is sourced from PubChem (CID 164676208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).