2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid

C9H10N2O3S — CID 62700415

IUPAC2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)NC1CC1
InChIInChI=1S/C9H10N2O3S/c12-8(13)6-3-4-15-7(6)11-9(14)10-5-1-2-5/h3-5H,1-2H2,(H,12,13)(H2,10,11,14)
InChIKeyLUDBREZEAXHTBH-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.73
Rot. Bonds3

About 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid

2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 62700415) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID62700415
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)NC1CC1
InChIInChI=1S/C9H10N2O3S/c12-8(13)6-3-4-15-7(6)11-9(14)10-5-1-2-5/h3-5H,1-2H2,(H,12,13)(H2,10,11,14)
InChIKeyLUDBREZEAXHTBH-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114548192
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114425
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
CID 82508319
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114828
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114630339
2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 64912939
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid (CID 62700415) is 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is LUDBREZEAXHTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-8(13)6-3-4-15-7(6)11-9(14)10-5-1-2-5/h3-5H,1-2H2,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid?
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 62700415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).