2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid

C11H14N2O3S — CID 113465789

IUPAC2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
SMILESC/C=C/CCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-2-3-4-6-12-11(16)13-9-8(10(14)15)5-7-17-9/h2-3,5,7H,4,6H2,1H3,(H,14,15)(H2,12,13,16)/b3-2+
InChIKeyJBZAMGCEYYJDPN-NSCUHMNNSA-N
MW254.31 g/mol
LogP2.53
Rot. Bonds5

About 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid

2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 113465789) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
PubChem CID113465789
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
SMILESC/C=C/CCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-2-3-4-6-12-11(16)13-9-8(10(14)15)5-7-17-9/h2-3,5,7H,4,6H2,1H3,(H,14,15)(H2,12,13,16)/b3-2+
InChIKeyJBZAMGCEYYJDPN-NSCUHMNNSA-N
XLogP2.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]thiophene-3-carboxylic acid
CID 63113877
2-(2-ethoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113875
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
CID 107318257
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114663
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 83203568
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106049277
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-3-carboxylic acid
CID 43357239

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid (CID 113465789) is 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid is C/C=C/CCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is JBZAMGCEYYJDPN-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-3-4-6-12-11(16)13-9-8(10(14)15)5-7-17-9/h2-3,5,7H,4,6H2,1H3,(H,14,15)(H2,12,13,16)/b3-2+.
What are the key properties of 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid?
2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 113465789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).