3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid

C14H19N3O4 — CID 62935113

IUPAC3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(=O)CC(C)(C)CC(=O)O)c1ccccn1
InChIInChI=1S/C14H19N3O4/c1-14(2,9-12(19)20)8-11(18)16-13(21)17(3)10-6-4-5-7-15-10/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyXJQRHDDWZLOXIR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.64
Rot. Bonds5

About 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid

3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 62935113) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID62935113
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(=O)CC(C)(C)CC(=O)O)c1ccccn1
InChIInChI=1S/C14H19N3O4/c1-14(2,9-12(19)20)8-11(18)16-13(21)17(3)10-6-4-5-7-15-10/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyXJQRHDDWZLOXIR-UHFFFAOYSA-N
XLogP1.64
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 62935113) is 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid is CN(C(=O)NC(=O)CC(C)(C)CC(=O)O)c1ccccn1.
What is the InChIKey of 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is XJQRHDDWZLOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,9-12(19)20)8-11(18)16-13(21)17(3)10-6-4-5-7-15-10/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,18,21).
What are the key properties of 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 62935113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).