(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid

C13H14BrNO5 — CID 102945371

IUPAC(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1Br
InChIInChI=1S/C13H14BrNO5/c1-19-9-3-2-7(6-8(9)14)15-12(16)10-4-5-11(20-10)13(17)18/h2-3,6,10-11H,4-5H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyYYOVDGCTXFZDIP-WDEREUQCSA-N
MW344.16 g/mol
LogP2.03
Rot. Bonds4

About (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945371) has the molecular formula C13H14BrNO5 and a molecular weight of 344.16 g/mol. Its IUPAC name is (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945371
Molecular FormulaC13H14BrNO5
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1Br
InChIInChI=1S/C13H14BrNO5/c1-19-9-3-2-7(6-8(9)14)15-12(16)10-4-5-11(20-10)13(17)18/h2-3,6,10-11H,4-5H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyYYOVDGCTXFZDIP-WDEREUQCSA-N
XLogP2.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688900
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945371) is (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1Br.
What is the InChIKey of (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is YYOVDGCTXFZDIP-WDEREUQCSA-N. The full InChI is InChI=1S/C13H14BrNO5/c1-19-9-3-2-7(6-8(9)14)15-12(16)10-4-5-11(20-10)13(17)18/h2-3,6,10-11H,4-5H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 344.16 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).