4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

C14H20N2O5 — CID 66253468

IUPAC4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCc1ccco1)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-2-5-16(12-9-20-8-11(12)13(17)18)14(19)15-7-10-4-3-6-21-10/h3-4,6,11-12H,2,5,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyHOPJORVCGUQYQP-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.30
Rot. Bonds6

About 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66253468) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66253468
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCc1ccco1)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-2-5-16(12-9-20-8-11(12)13(17)18)14(19)15-7-10-4-3-6-21-10/h3-4,6,11-12H,2,5,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyHOPJORVCGUQYQP-UHFFFAOYSA-N
XLogP1.30
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 107297361
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169
4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252537
2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62822299
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (CID 66253468) is 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NCc1ccco1)C1COCC1C(=O)O.
What is the InChIKey of 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is HOPJORVCGUQYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-5-16(12-9-20-8-11(12)13(17)18)14(19)15-7-10-4-3-6-21-10/h3-4,6,11-12H,2,5,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).