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

C11H11ClN2O4 — CID 102945567

IUPAC(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc(Cl)nc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H11ClN2O4/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
InChIKeyMWIHCTJMKTWSDZ-JGVFFNPUSA-N
MW270.67 g/mol
LogP1.31
Rot. Bonds3

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

(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945567) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945567
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc(Cl)nc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H11ClN2O4/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
InChIKeyMWIHCTJMKTWSDZ-JGVFFNPUSA-N
XLogP1.31
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.31
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-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
(2R,5S)-5-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107677682
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 146095511
cis-(1S,3R)-3-[(6-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389956
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944700
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945567) is (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is O=C(Nc1ccc(Cl)nc1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is MWIHCTJMKTWSDZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H11ClN2O4/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-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 270.67 g/mol, XLogP of 1.31, 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-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).