2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid

C15H13NO3S — CID 84559514

IUPAC2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)c1cccs1
InChIInChI=1S/C15H13NO3S/c17-13(12-7-4-8-20-12)16-15(14(18)19)9-11(15)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,16,17)(H,18,19)
InChIKeyWCMIAQIJDFWOTP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.49
Rot. Bonds4

About 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid

2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid (PubChem CID 84559514) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid
PubChem CID84559514
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)c1cccs1
InChIInChI=1S/C15H13NO3S/c17-13(12-7-4-8-20-12)16-15(14(18)19)9-11(15)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,16,17)(H,18,19)
InChIKeyWCMIAQIJDFWOTP-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid (CID 84559514) is 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1c1ccccc1)c1cccs1.
What is the InChIKey of 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is WCMIAQIJDFWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-13(12-7-4-8-20-12)16-15(14(18)19)9-11(15)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid?
2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84559514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).