4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

C14H19N3O4 — CID 66245923

IUPAC4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCc1ccncc1)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-2-17(12-9-21-8-11(12)13(18)19)14(20)16-7-10-3-5-15-6-4-10/h3-6,11-12H,2,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyPPWWOAPKWQXSCD-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.71
Rot. Bonds5

About 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245923) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66245923
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCc1ccncc1)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-2-17(12-9-21-8-11(12)13(18)19)14(20)16-7-10-3-5-15-6-4-10/h3-6,11-12H,2,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyPPWWOAPKWQXSCD-UHFFFAOYSA-N
XLogP0.71
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246127
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 106752679
4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246238
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66252743

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66245923) is 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)NCc1ccncc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PPWWOAPKWQXSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-17(12-9-21-8-11(12)13(18)19)14(20)16-7-10-3-5-15-6-4-10/h3-6,11-12H,2,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).