2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid

C14H18N2O2S — CID 63917868

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
SMILESO=C(O)C(CSc1ccccn1)(NC1CC1)C1CC1
InChIInChI=1S/C14H18N2O2S/c17-13(18)14(10-4-5-10,16-11-6-7-11)9-19-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H,17,18)
InChIKeyJAEJLFYUERSRGM-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.16
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid (PubChem CID 63917868) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
PubChem CID63917868
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
SMILESO=C(O)C(CSc1ccccn1)(NC1CC1)C1CC1
InChIInChI=1S/C14H18N2O2S/c17-13(18)14(10-4-5-10,16-11-6-7-11)9-19-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H,17,18)
InChIKeyJAEJLFYUERSRGM-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid (CID 63917868) is 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid is O=C(O)C(CSc1ccccn1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid?
The InChIKey is JAEJLFYUERSRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(18)14(10-4-5-10,16-11-6-7-11)9-19-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H,17,18).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid has a molecular weight of 278.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 63917868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).