4-[(carbamoylamino)methyl]furan-2-carboxylic acid

C7H8N2O4 — CID 84659397

IUPAC4-[(carbamoylamino)methyl]furan-2-carboxylic acid
SMILESNC(=O)NCc1coc(C(=O)O)c1
InChIInChI=1S/C7H8N2O4/c8-7(12)9-2-4-1-5(6(10)11)13-3-4/h1,3H,2H2,(H,10,11)(H3,8,9,12)
InChIKeyAONKOCAVDNRUPY-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.15
Rot. Bonds3

About 4-[(carbamoylamino)methyl]furan-2-carboxylic acid

4-[(carbamoylamino)methyl]furan-2-carboxylic acid (PubChem CID 84659397) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]furan-2-carboxylic acid
PubChem CID84659397
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name4-[(carbamoylamino)methyl]furan-2-carboxylic acid
SMILESNC(=O)NCc1coc(C(=O)O)c1
InChIInChI=1S/C7H8N2O4/c8-7(12)9-2-4-1-5(6(10)11)13-3-4/h1,3H,2H2,(H,10,11)(H3,8,9,12)
InChIKeyAONKOCAVDNRUPY-UHFFFAOYSA-N
XLogP0.15
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;benzylurea;hydrazine
CID 68793593
(3,5-difluorophenyl)methylurea
CID 112708056
4-[(2-methylphenyl)methyl]furan-2-carboxylic acid
CID 84723847
(3-ethylphenyl)methylurea
CID 70298508
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
(3-methylphenyl)methylurea
CID 60776531
3-[(carbamoylamino)methyl]benzamide
CID 166184789
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 84724580
ethane;pyridin-4-ylmethylurea
CID 144877282
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylurea
CID 66502369
(3-bromo-4-fluorophenyl)methylurea
CID 131036089

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 4-[(carbamoylamino)methyl]furan-2-carboxylic acid (CID 84659397) is 4-[(carbamoylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 4-[(carbamoylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 4-[(carbamoylamino)methyl]furan-2-carboxylic acid is NC(=O)NCc1coc(C(=O)O)c1.
What is the InChIKey of 4-[(carbamoylamino)methyl]furan-2-carboxylic acid?
The InChIKey is AONKOCAVDNRUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c8-7(12)9-2-4-1-5(6(10)11)13-3-4/h1,3H,2H2,(H,10,11)(H3,8,9,12).
What are the key properties of 4-[(carbamoylamino)methyl]furan-2-carboxylic acid?
4-[(carbamoylamino)methyl]furan-2-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 84659397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).