4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

C10H10BrNO4S — CID 66222915

IUPAC4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C10H10BrNO4S/c11-8-2-1-7(17-8)9(13)12-6-4-16-3-5(6)10(14)15/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKeyQUUUXLQVFSIVCW-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.34
Rot. Bonds3

About 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66222915) has the molecular formula C10H10BrNO4S and a molecular weight of 320.16 g/mol. Its IUPAC name is 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66222915
Molecular FormulaC10H10BrNO4S
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C10H10BrNO4S/c11-8-2-1-7(17-8)9(13)12-6-4-16-3-5(6)10(14)15/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKeyQUUUXLQVFSIVCW-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
2-[(5-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64814788
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66221178
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107729418
4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66221629
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126938917
4-[(2-bromo-6-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 114558567
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66222915) is 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1ccc(Br)s1.
What is the InChIKey of 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QUUUXLQVFSIVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4S/c11-8-2-1-7(17-8)9(13)12-6-4-16-3-5(6)10(14)15/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 320.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).