3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid

C10H11N3O2S — CID 170872659

IUPAC3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid
SMILESCSc1nc(C(N)CC(=O)O)ccc1C#N
InChIInChI=1S/C10H11N3O2S/c1-16-10-6(5-11)2-3-8(13-10)7(12)4-9(14)15/h2-3,7H,4,12H2,1H3,(H,14,15)
InChIKeyWYPYSTGQAZWZQW-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid

3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid (PubChem CID 170872659) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid
PubChem CID170872659
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid
SMILESCSc1nc(C(N)CC(=O)O)ccc1C#N
InChIInChI=1S/C10H11N3O2S/c1-16-10-6(5-11)2-3-8(13-10)7(12)4-9(14)15/h2-3,7H,4,12H2,1H3,(H,14,15)
InChIKeyWYPYSTGQAZWZQW-UHFFFAOYSA-N
XLogP1.15
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
CID 55271961
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N,N-diphenylacetamide
CID 1230672
6-ethyl-2-methylsulfanylpyridine-3-carbonitrile
CID 58990449
3-amino-3-(3-cyano-4-methoxyphenyl)propanoic acid
CID 84787331
(3R)-3-amino-3-(3-cyano-1H-pyrrol-2-yl)propanoic acid
CID 130650607
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
6-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 2765290
(2R)-2-[(5-cyano-6-methyl-2-pyridinyl)amino]butanedioic acid
CID 166401672
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-3-methylbutanoic acid
CID 105355130
2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile
CID 23913750
2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile
CID 168749767

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid (CID 170872659) is 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid is CSc1nc(C(N)CC(=O)O)ccc1C#N.
What is the InChIKey of 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid?
The InChIKey is WYPYSTGQAZWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-16-10-6(5-11)2-3-8(13-10)7(12)4-9(14)15/h2-3,7H,4,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid?
3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 170872659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).