2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid

C11H14N2O2S — CID 63917690

IUPAC2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid
SMILESNC(CSc1ccccn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N2O2S/c12-11(10(14)15,8-4-5-8)7-16-9-3-1-2-6-13-9/h1-3,6,8H,4-5,7,12H2,(H,14,15)
InChIKeyUAEWAMBVBDWJFK-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid

2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid (PubChem CID 63917690) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid
PubChem CID63917690
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid
SMILESNC(CSc1ccccn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N2O2S/c12-11(10(14)15,8-4-5-8)7-16-9-3-1-2-6-13-9/h1-3,6,8H,4-5,7,12H2,(H,14,15)
InChIKeyUAEWAMBVBDWJFK-UHFFFAOYSA-N
XLogP1.37
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanamide
CID 63917691
2-cyclopropyl-2-(methylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917687
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917868
2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid
CID 63917662
2-cyclopropyl-2-pyridin-2-ylsulfanylpropanoic acid
CID 82238766
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475
ethyl 2-amino-2-cyclopropyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63919488
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
3,3,3-trifluoro-2-(pyridin-2-ylsulfanylmethyl)propanoic acid
CID 80997161
2,2-dimethyl-5-pyridin-2-ylsulfanylpentanoic acid
CID 65259922
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
CID 63917294

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid (CID 63917690) is 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid is NC(CSc1ccccn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid?
The InChIKey is UAEWAMBVBDWJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-11(10(14)15,8-4-5-8)7-16-9-3-1-2-6-13-9/h1-3,6,8H,4-5,7,12H2,(H,14,15).
What are the key properties of 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid?
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid has a molecular weight of 238.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 63917690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).