2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid

C15H19NO3S — CID 43360476

IUPAC2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCSc1ccccc1)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO3S/c1-15(14(18)19,11-7-8-11)16-13(17)9-10-20-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyYRGZUANZBZVDTH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.54
Rot. Bonds7

About 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid

2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid (PubChem CID 43360476) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid
PubChem CID43360476
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCSc1ccccc1)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO3S/c1-15(14(18)19,11-7-8-11)16-13(17)9-10-20-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyYRGZUANZBZVDTH-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid (CID 43360476) is 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid is CC(NC(=O)CCSc1ccccc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid?
The InChIKey is YRGZUANZBZVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-15(14(18)19,11-7-8-11)16-13(17)9-10-20-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid?
2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid has a molecular weight of 293.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-phenylsulfanylpropanoylamino)propanoic acid is sourced from PubChem (CID 43360476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).