4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid

C11H13NO5 — CID 66223779

IUPAC4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2COCC2C(=O)O)o1
InChIInChI=1S/C11H13NO5/c1-6-2-3-9(17-6)10(13)12-8-5-16-4-7(8)11(14)15/h2-3,7-8H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyTWKLHKAPAPAXGQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.42
Rot. Bonds3

About 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66223779) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66223779
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2COCC2C(=O)O)o1
InChIInChI=1S/C11H13NO5/c1-6-2-3-9(17-6)10(13)12-8-5-16-4-7(8)11(14)15/h2-3,7-8H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyTWKLHKAPAPAXGQ-UHFFFAOYSA-N
XLogP0.42
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
CID 27459810
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222473
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66223779) is 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid is Cc1ccc(C(=O)NC2COCC2C(=O)O)o1.
What is the InChIKey of 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is TWKLHKAPAPAXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-6-2-3-9(17-6)10(13)12-8-5-16-4-7(8)11(14)15/h2-3,7-8H,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66223779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).