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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Related Compounds

1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404
1-[(3-bromobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84558954
trans-(1S,2R)-1-[[(2S)-2-hydroxypropanoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 176961744
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
N-benzylthiophene-2-carboxamide
CID 574227
(2S)-2-(1-adamantyl)-2-(thiophene-2-carbonylamino)acetic acid
CID 7065356
N-sulfanylthiophene-2-carboxamide
CID 87476143
1-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559632
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 29074607
N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]thiophene-2-carboxamide
CID 69088896

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).