5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid

C14H14N2O5 — CID 102687992

IUPAC5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
SMILESN#CCOc1cccc(NC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C14H14N2O5/c15-6-7-20-10-3-1-2-9(8-10)16-13(17)11-4-5-12(21-11)14(18)19/h1-3,8,11-12H,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyLANRWHMJTGGEFP-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.16
Rot. Bonds5

About 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid

5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687992) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687992
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
SMILESN#CCOc1cccc(NC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C14H14N2O5/c15-6-7-20-10-3-1-2-9(8-10)16-13(17)11-4-5-12(21-11)14(18)19/h1-3,8,11-12H,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyLANRWHMJTGGEFP-UHFFFAOYSA-N
XLogP1.16
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(cyanomethoxy)phenyl]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-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
[3-(cyanomethoxy)phenyl]urea
CID 43369607
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
(2S,5R)-5-(aminomethyl)-N-(3-ethoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120786061

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid (CID 102687992) is 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid is N#CCOc1cccc(NC(=O)C2CCC(C(=O)O)O2)c1.
What is the InChIKey of 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is LANRWHMJTGGEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c15-6-7-20-10-3-1-2-9(8-10)16-13(17)11-4-5-12(21-11)14(18)19/h1-3,8,11-12H,4-5,7H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid?
5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).