methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate

C7H8BrNO2S — CID 130055189

IUPACmethyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
SMILESCOC(=O)[C@@H](N)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNO2S/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3/t6-/m0/s1
InChIKeyPTKZSPKDGJCYTF-LURJTMIESA-N
MW250.12 g/mol
LogP1.68
Rot. Bonds2

About methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate

methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate (PubChem CID 130055189) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
PubChem CID130055189
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Namemethyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
SMILESCOC(=O)[C@@H](N)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNO2S/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3/t6-/m0/s1
InChIKeyPTKZSPKDGJCYTF-LURJTMIESA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
methyl 2-(5-bromothiophen-2-yl)-3-oxopropanoate
CID 86640017
2-amino-2-(5-bromothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849789
methyl (3S)-3-amino-3-(5-bromothiophen-2-yl)propanoate
CID 29059589
methyl 5-amino-5-(5-bromothiophen-2-yl)-3-methylpentanoate
CID 62942196
methyl 2-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetate
CID 116860484
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
CID 61347397
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
methyl 3-(5-bromothiophen-2-yl)-2-chloro-3-oxopropanoate
CID 82490118
methyl 2-[1-[2-amino-2-(5-bromothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 61104186
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate (CID 130055189) is methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate is COC(=O)[C@@H](N)c1ccc(Br)s1.
What is the InChIKey of methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate?
The InChIKey is PTKZSPKDGJCYTF-LURJTMIESA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3/t6-/m0/s1.
What are the key properties of methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate?
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate has a molecular weight of 250.12 g/mol, XLogP of 1.68, 2 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-(5-bromothiophen-2-yl)acetate is sourced from PubChem (CID 130055189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).