2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid

C9H10BrNO3S — CID 82489807

IUPAC2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)c1cc(Br)cs1)C(=O)O
InChIInChI=1S/C9H10BrNO3S/c1-5(9(13)14)11-3-7(12)8-2-6(10)4-15-8/h2,4-5,11H,3H2,1H3,(H,13,14)
InChIKeyFGMNFICDQFROIW-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.76
Rot. Bonds5

About 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid

2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 82489807) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID82489807
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)c1cc(Br)cs1)C(=O)O
InChIInChI=1S/C9H10BrNO3S/c1-5(9(13)14)11-3-7(12)8-2-6(10)4-15-8/h2,4-5,11H,3H2,1H3,(H,13,14)
InChIKeyFGMNFICDQFROIW-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CID 116918430
1-(4-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291002
1-(4-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82480445
2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid
CID 82480575
2-(carboxymethylamino)propanoic acid
CID 2764308
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one
CID 82302526
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
tert-butyl 4-(4-bromothiophen-2-yl)-2,4-dioxobutanoate
CID 116836436
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid
CID 95866465
1-(4-bromothiophen-2-yl)-4-chlorobutan-1-one
CID 15818846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid (CID 82489807) is 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)c1cc(Br)cs1)C(=O)O.
What is the InChIKey of 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is FGMNFICDQFROIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-5(9(13)14)11-3-7(12)8-2-6(10)4-15-8/h2,4-5,11H,3H2,1H3,(H,13,14).
What are the key properties of 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid?
2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 292.15 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82489807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).