3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid

C8H8BrNO4S — CID 66167024

IUPAC3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNO4S/c9-6-2-1-5(15-6)7(12)10-3-4(11)8(13)14/h1-2,4,11H,3H2,(H,10,12)(H,13,14)
InChIKeyJDZBRMBDZPBKLY-UHFFFAOYSA-N
MW294.13 g/mol
LogP0.69
Rot. Bonds4

About 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid

3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66167024) has the molecular formula C8H8BrNO4S and a molecular weight of 294.13 g/mol. Its IUPAC name is 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66167024
Molecular FormulaC8H8BrNO4S
Molecular Weight294.13 g/mol
Exact Mass292.94
IUPAC Name3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNO4S/c9-6-2-1-5(15-6)7(12)10-3-4(11)8(13)14/h1-2,4,11H,3H2,(H,10,12)(H,13,14)
InChIKeyJDZBRMBDZPBKLY-UHFFFAOYSA-N
XLogP0.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
(2S)-3-[(4,5-dibromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833654
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826737

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid (CID 66167024) is 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)c1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is JDZBRMBDZPBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4S/c9-6-2-1-5(15-6)7(12)10-3-4(11)8(13)14/h1-2,4,11H,3H2,(H,10,12)(H,13,14).
What are the key properties of 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 294.13 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).