5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid

C18H18N2O6 — CID 119245842

IUPAC5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H18N2O6/c21-16(19-10-13-6-7-15(26-13)18(23)24)11-3-1-4-12(9-11)20-17(22)14-5-2-8-25-14/h1,3-4,6-7,9,14H,2,5,8,10H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyCRVJZSBZUDZCKL-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.03
Rot. Bonds6

About 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid

5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119245842) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119245842
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H18N2O6/c21-16(19-10-13-6-7-15(26-13)18(23)24)11-3-1-4-12(9-11)20-17(22)14-5-2-8-25-14/h1,3-4,6-7,9,14H,2,5,8,10H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyCRVJZSBZUDZCKL-UHFFFAOYSA-N
XLogP2.03
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid (CID 119245842) is 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)o1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is CRVJZSBZUDZCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c21-16(19-10-13-6-7-15(26-13)18(23)24)11-3-1-4-12(9-11)20-17(22)14-5-2-8-25-14/h1,3-4,6-7,9,14H,2,5,8,10H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).