methyl (2S)-2-amino-2-thiophen-2-ylacetate

C7H9NO2S — CID 7568219

IUPACmethyl (2S)-2-amino-2-thiophen-2-ylacetate
SMILESCOC(=O)[C@H](N)c1cccs1
InChIInChI=1S/C7H9NO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,8H2,1H3/t6-/m1/s1
InChIKeyNIQYTSNCFFGUMC-ZCFIWIBFSA-N
MW171.22 g/mol
LogP0.92
Rot. Bonds2

About methyl (2S)-2-amino-2-thiophen-2-ylacetate

methyl (2S)-2-amino-2-thiophen-2-ylacetate (PubChem CID 7568219) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-thiophen-2-ylacetate
PubChem CID7568219
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl (2S)-2-amino-2-thiophen-2-ylacetate
SMILESCOC(=O)[C@H](N)c1cccs1
InChIInChI=1S/C7H9NO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,8H2,1H3/t6-/m1/s1
InChIKeyNIQYTSNCFFGUMC-ZCFIWIBFSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiopheneacetic acid, alpha-amino-, (-)-
CID 89435
Methyl 2-amino-2-(thiophen-2-yl)acetate hydrochloride
CID 24212017
Methyl 2-amino-3-(thiophen-2-yl)propanoate hydrochloride
CID 67438693
Methyl 2-amino-2-(thiophen-3-yl)acetate hydrochloride
CID 70292713
beta-2-thienyl-D,L-Alanine
CID 44123331
(R)-2-Thienylglycine
CID 736058
(S)-2-Thienylglycine
CID 736059
Cambridge id 5190717
CID 2832724
Ethyl 3-amino-3-(thiophen-2-yl)propanoate
CID 3359149
Methyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride
CID 17529508
(Methylamino)(2-Thienyl)Acetic Acid Hydrochloride
CID 50944369
Methyl 2-(5-(aminomethyl)thiophen-2-yl)acetate hydrochloride
CID 71757716

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-thiophen-2-ylacetate?
The IUPAC name of methyl (2S)-2-amino-2-thiophen-2-ylacetate (CID 7568219) is methyl (2S)-2-amino-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl (2S)-2-amino-2-thiophen-2-ylacetate?
The canonical SMILES for methyl (2S)-2-amino-2-thiophen-2-ylacetate is COC(=O)[C@H](N)c1cccs1.
What is the InChIKey of methyl (2S)-2-amino-2-thiophen-2-ylacetate?
The InChIKey is NIQYTSNCFFGUMC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,8H2,1H3/t6-/m1/s1.
What are the key properties of methyl (2S)-2-amino-2-thiophen-2-ylacetate?
methyl (2S)-2-amino-2-thiophen-2-ylacetate has a molecular weight of 171.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-thiophen-2-ylacetate is sourced from PubChem (CID 7568219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).