(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid

C12H13N3O3 — CID 129392453

IUPAC(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C12H13N3O3/c1-8(5-12(17)18)4-11(16)15-10-3-2-9(6-13)14-7-10/h2-3,7-8H,4-5H2,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyRSUDOIQBPLHRSA-MRVPVSSYSA-N
MW247.25 g/mol
LogP1.39
Rot. Bonds5

About (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid

(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 129392453) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID129392453
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C12H13N3O3/c1-8(5-12(17)18)4-11(16)15-10-3-2-9(6-13)14-7-10/h2-3,7-8H,4-5H2,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyRSUDOIQBPLHRSA-MRVPVSSYSA-N
XLogP1.39
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
(3S)-5-[4-cyano-3-(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid
CID 129392471
5-(4-tert-butylanilino)-3-methyl-5-oxopentanoic acid
CID 62965373
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2-cyanoanilino)-3-methyl-5-oxopentanoic acid
CID 55155791
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
CID 107338804
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid (CID 129392453) is (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid is C[C@@H](CC(=O)O)CC(=O)Nc1ccc(C#N)nc1.
What is the InChIKey of (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is RSUDOIQBPLHRSA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8(5-12(17)18)4-11(16)15-10-3-2-9(6-13)14-7-10/h2-3,7-8H,4-5H2,1H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid?
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 129392453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).