(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid

C11H14N2O3 — CID 7316708

IUPAC(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)Nc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-8(6-11(15)16)5-10(14)13-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyAMJTXOKTLVJSQV-MRVPVSSYSA-N
MW222.24 g/mol
LogP1.52
Rot. Bonds5

About (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid

(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid (PubChem CID 7316708) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
PubChem CID7316708
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)Nc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-8(6-11(15)16)5-10(14)13-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyAMJTXOKTLVJSQV-MRVPVSSYSA-N
XLogP1.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137
2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
CID 44993995
(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
CID 851940
4-oxo-2-(propylamino)-4-(pyridin-3-ylamino)butanoic acid
CID 6852100
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
CID 129392453
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
The IUPAC name of (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid (CID 7316708) is (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid.
What is the SMILES notation for (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
The canonical SMILES for (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid is C[C@@H](CC(=O)O)CC(=O)Nc1cccnc1.
What is the InChIKey of (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
The InChIKey is AMJTXOKTLVJSQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(6-11(15)16)5-10(14)13-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid is sourced from PubChem (CID 7316708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).