3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid

C11H13N3O3 — CID 106108497

IUPAC3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nccc(C)c1C#N)C(=O)O
InChIInChI=1S/C11H13N3O3/c1-7-3-4-13-10(8(7)5-12)14-6-9(17-2)11(15)16/h3-4,9H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLDOXWNOZNZBKPT-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.77
Rot. Bonds5

About 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid

3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid (PubChem CID 106108497) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid
PubChem CID106108497
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nccc(C)c1C#N)C(=O)O
InChIInChI=1S/C11H13N3O3/c1-7-3-4-13-10(8(7)5-12)14-6-9(17-2)11(15)16/h3-4,9H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLDOXWNOZNZBKPT-UHFFFAOYSA-N
XLogP0.77
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108642
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 106108396
(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
CID 122049397
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108640
2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid
CID 106108525
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
3-(3-bromo-2-cyanoanilino)-2-methoxypropanoic acid
CID 106108553
3-(2-cyano-3-fluoroanilino)-2-methoxypropanoic acid
CID 106108357

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid (CID 106108497) is 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid is COC(CNc1nccc(C)c1C#N)C(=O)O.
What is the InChIKey of 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid?
The InChIKey is LDOXWNOZNZBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-3-4-13-10(8(7)5-12)14-6-9(17-2)11(15)16/h3-4,9H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid?
3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).