2-amino-2-(5-bromothiophen-2-yl)acetic acid

C6H6BrNO2S — CID 3977554

IUPAC2-amino-2-(5-bromothiophen-2-yl)acetic acid
SMILESNC(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO2S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5H,8H2,(H,9,10)
InChIKeyYWMFPOQBNGNHGW-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.60
Rot. Bonds2

About 2-amino-2-(5-bromothiophen-2-yl)acetic acid

2-amino-2-(5-bromothiophen-2-yl)acetic acid (PubChem CID 3977554) has the molecular formula C6H6BrNO2S and a molecular weight of 236.09 g/mol. Its IUPAC name is 2-amino-2-(5-bromothiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromothiophen-2-yl)acetic acid
PubChem CID3977554
Molecular FormulaC6H6BrNO2S
Molecular Weight236.09 g/mol
Exact Mass234.93
IUPAC Name2-amino-2-(5-bromothiophen-2-yl)acetic acid
SMILESNC(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO2S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5H,8H2,(H,9,10)
InChIKeyYWMFPOQBNGNHGW-UHFFFAOYSA-N
XLogP1.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiopheneacetic acid, alpha-amino-, (-)-
CID 89435
(alphaS)-alpha-Amino-5-bromo-2-thiophenepropanoic acid
CID 2761814
(2S)-2-azaniumyl-3-(5-bromothiophen-2-yl)propanoate
CID 7016819
(R)-2-Thienylglycine
CID 736058
(S)-2-Thienylglycine
CID 736059
Cambridge id 5190717
CID 2832724
2-(5-Bromothiophen-2-yl)-2-(methylamino)acetic acid hydrochloride
CID 126812238
2-(4-Bromothiophen-2-yl)-2-[(2,2,2-trifluoroethyl)amino]acetic acid
CID 56828534
2-Amino-3-(5-bromothiophen-2-yl)propanoic acid
CID 4210281
2-Amino-2-(5-methylthiophen-2-yl)acetic acid
CID 581054
2-(5-Bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61346830
2-(5-Bromothiophen-2-yl)-2-(methylamino)acetic acid
CID 61347006

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromothiophen-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromothiophen-2-yl)acetic acid (CID 3977554) is 2-amino-2-(5-bromothiophen-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromothiophen-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromothiophen-2-yl)acetic acid is NC(C(=O)O)c1ccc(Br)s1.
What is the InChIKey of 2-amino-2-(5-bromothiophen-2-yl)acetic acid?
The InChIKey is YWMFPOQBNGNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5H,8H2,(H,9,10).
What are the key properties of 2-amino-2-(5-bromothiophen-2-yl)acetic acid?
2-amino-2-(5-bromothiophen-2-yl)acetic acid has a molecular weight of 236.09 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromothiophen-2-yl)acetic acid is sourced from PubChem (CID 3977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).