5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid

C12H14N2O4 — CID 113475840

IUPAC5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)NC1CC=CC1
InChIInChI=1S/C12H14N2O4/c15-11(16)10-6-5-9(18-10)7-13-12(17)14-8-3-1-2-4-8/h1-2,5-6,8H,3-4,7H2,(H,15,16)(H2,13,14,17)
InChIKeyVFFCNNFIUADDAB-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.50
Rot. Bonds4

About 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid

5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid (PubChem CID 113475840) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
PubChem CID113475840
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)NC1CC=CC1
InChIInChI=1S/C12H14N2O4/c15-11(16)10-6-5-9(18-10)7-13-12(17)14-8-3-1-2-4-8/h1-2,5-6,8H,3-4,7H2,(H,15,16)(H2,13,14,17)
InChIKeyVFFCNNFIUADDAB-UHFFFAOYSA-N
XLogP1.50
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 103064031
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide
CID 138993064
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
5-[[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]methyl]furan-2-carboxylic acid
CID 113406745
5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 114913031
5-[[[4-(2-carboxyethyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 57162604
5-[[(3,4-dihydroxybenzoyl)amino]methyl]furan-2-carboxylic acid
CID 107728163
5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246168
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid (CID 113475840) is 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)o1)NC1CC=CC1.
What is the InChIKey of 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The InChIKey is VFFCNNFIUADDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(16)10-6-5-9(18-10)7-13-12(17)14-8-3-1-2-4-8/h1-2,5-6,8H,3-4,7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 113475840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).