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

C8H8BrNO4S — CID 43357752

IUPAC2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1csc(Br)c1
InChIInChI=1S/C8H8BrNO4S/c9-6-1-4(3-15-6)7(12)10-5(2-11)8(13)14/h1,3,5,11H,2H2,(H,10,12)(H,13,14)
InChIKeyBULFXIYTMFPFSO-UHFFFAOYSA-N
MW294.13 g/mol
LogP0.69
Rot. Bonds4

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

2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 43357752) has the molecular formula C8H8BrNO4S and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID43357752
Molecular FormulaC8H8BrNO4S
Molecular Weight294.13 g/mol
Exact Mass292.94
IUPAC Name2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1csc(Br)c1
InChIInChI=1S/C8H8BrNO4S/c9-6-1-4(3-15-6)7(12)10-5(2-11)8(13)14/h1,3,5,11H,2H2,(H,10,12)(H,13,14)
InChIKeyBULFXIYTMFPFSO-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

2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
CID 43623494
2-[(5-bromothiophene-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43353217
(2R)-2-[(5-bromothiophene-3-carbonyl)amino]hexanedioic acid
CID 107831476
2-[(5-bromothiophene-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114916690
2-[(5-bromothiophene-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786881
5-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-3-carboxamide
CID 95026928
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid (CID 43357752) is 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is BULFXIYTMFPFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4S/c9-6-1-4(3-15-6)7(12)10-5(2-11)8(13)14/h1,3,5,11H,2H2,(H,10,12)(H,13,14).
What are the key properties of 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(5-bromothiophene-3-carbonyl)amino]-3-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 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).