(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

C11H11BrN2O4 — CID 114051447

IUPAC(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc(Br)nc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H11BrN2O4/c12-9-4-1-6(5-13-9)14-10(15)7-2-3-8(18-7)11(16)17/h1,4-5,7-8H,2-3H2,(H,14,15)(H,16,17)/t7-,8+/m0/s1
InChIKeyBYTILDCMWFYJTR-JGVFFNPUSA-N
MW315.12 g/mol
LogP1.41
Rot. Bonds3

About (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 114051447) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID114051447
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc(Br)nc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H11BrN2O4/c12-9-4-1-6(5-13-9)14-10(15)7-2-3-8(18-7)11(16)17/h1,4-5,7-8H,2-3H2,(H,14,15)(H,16,17)/t7-,8+/m0/s1
InChIKeyBYTILDCMWFYJTR-JGVFFNPUSA-N
XLogP1.41
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 107584585
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 114051447) is (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is O=C(Nc1ccc(Br)nc1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BYTILDCMWFYJTR-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-9-4-1-6(5-13-9)14-10(15)7-2-3-8(18-7)11(16)17/h1,4-5,7-8H,2-3H2,(H,14,15)(H,16,17)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 315.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 114051447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).