2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid

C11H13NO3S — CID 43163065

IUPAC2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccsc1)(C(=O)O)C1CC1
InChIInChI=1S/C11H13NO3S/c1-11(10(14)15,8-2-3-8)12-9(13)7-4-5-16-6-7/h4-6,8H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyMOLMSDXOVQPBOR-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.73
Rot. Bonds4

About 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid

2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid (PubChem CID 43163065) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid
PubChem CID43163065
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccsc1)(C(=O)O)C1CC1
InChIInChI=1S/C11H13NO3S/c1-11(10(14)15,8-2-3-8)12-9(13)7-4-5-16-6-7/h4-6,8H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyMOLMSDXOVQPBOR-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid (CID 43163065) is 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid is CC(NC(=O)c1ccsc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid?
The InChIKey is MOLMSDXOVQPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-11(10(14)15,8-2-3-8)12-9(13)7-4-5-16-6-7/h4-6,8H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid?
2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid is sourced from PubChem (CID 43163065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).