5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid

C14H16N2O5 — CID 102687923

IUPAC5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)c1cccc(CNC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C14H16N2O5/c15-12(17)9-3-1-2-8(6-9)7-16-13(18)10-4-5-11(21-10)14(19)20/h1-3,6,10-11H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyKXMWNMZZPHJPHW-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.03
Rot. Bonds5

About 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687923) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102687923
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)c1cccc(CNC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C14H16N2O5/c15-12(17)9-3-1-2-8(6-9)7-16-13(18)10-4-5-11(21-10)14(19)20/h1-3,6,10-11H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyKXMWNMZZPHJPHW-UHFFFAOYSA-N
XLogP0.03
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(3-carbamoylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787107
(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945093
5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687496
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
methyl 3-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]benzoate;hydrochloride
CID 120785903
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102687923) is 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid is NC(=O)c1cccc(CNC(=O)C2CCC(C(=O)O)O2)c1.
What is the InChIKey of 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is KXMWNMZZPHJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-12(17)9-3-1-2-8(6-9)7-16-13(18)10-4-5-11(21-10)14(19)20/h1-3,6,10-11H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).