methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate

C7H8ClNO2S — CID 12968026

IUPACmethyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3/t6-/m1/s1
InChIKeyRVIQLOUBYDTYQS-ZCFIWIBFSA-N
MW205.67 g/mol
LogP1.57
Rot. Bonds2

About methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate

methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate (PubChem CID 12968026) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
PubChem CID12968026
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Namemethyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3/t6-/m1/s1
InChIKeyRVIQLOUBYDTYQS-ZCFIWIBFSA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849788
(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 166678249
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
methyl 2-[(5-chlorothiophen-2-yl)-(methylamino)methyl]butanoate
CID 116960408
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
CID 62111155
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate (CID 12968026) is methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate is COC(=O)[C@H](N)c1ccc(Cl)s1.
What is the InChIKey of methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate?
The InChIKey is RVIQLOUBYDTYQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3/t6-/m1/s1.
What are the key properties of methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate?
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate has a molecular weight of 205.67 g/mol, XLogP of 1.57, 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-(5-chlorothiophen-2-yl)acetate is sourced from PubChem (CID 12968026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).