3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid

C15H22N2O3 — CID 62964403

IUPAC3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)17(10-13-5-4-6-16-9-13)14(18)7-12(3)8-15(19)20/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,20)
InChIKeyNYVAHWJYCXBSSN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds7

About 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid

3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid (PubChem CID 62964403) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
PubChem CID62964403
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)17(10-13-5-4-6-16-9-13)14(18)7-12(3)8-15(19)20/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,20)
InChIKeyNYVAHWJYCXBSSN-UHFFFAOYSA-N
XLogP2.32
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79278864
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-[[methyl(pyridin-3-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61203602
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
CID 115220133
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid (CID 62964403) is 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid is CC(CC(=O)O)CC(=O)N(Cc1cccnc1)C(C)C.
What is the InChIKey of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid?
The InChIKey is NYVAHWJYCXBSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)17(10-13-5-4-6-16-9-13)14(18)7-12(3)8-15(19)20/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid?
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 62964403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).