4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid

C13H15N3O5 — CID 66240931

IUPAC4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)NC2COCC2C(=O)O)cc1
InChIInChI=1S/C13H15N3O5/c14-11(17)7-1-3-8(4-2-7)15-13(20)16-10-6-21-5-9(10)12(18)19/h1-4,9-10H,5-6H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyBCGCCFAITLMMCC-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.01
Rot. Bonds4

About 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66240931) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66240931
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)NC2COCC2C(=O)O)cc1
InChIInChI=1S/C13H15N3O5/c14-11(17)7-1-3-8(4-2-7)15-13(20)16-10-6-21-5-9(10)12(18)19/h1-4,9-10H,5-6H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyBCGCCFAITLMMCC-UHFFFAOYSA-N
XLogP0.01
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934
4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535
4-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 107576429
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239543
4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564
4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239756
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238972
4-[(1-ethylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238549
(1R,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802027
2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
CID 64817627

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66240931) is 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid is NC(=O)c1ccc(NC(=O)NC2COCC2C(=O)O)cc1.
What is the InChIKey of 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is BCGCCFAITLMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c14-11(17)7-1-3-8(4-2-7)15-13(20)16-10-6-21-5-9(10)12(18)19/h1-4,9-10H,5-6H2,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).