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

C15H22N2O3 — CID 62964578

IUPAC3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1ccccn1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)17(10-13-6-4-5-7-16-13)14(18)8-12(3)9-15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)
InChIKeyLOEDBTSBHAIEBP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds7

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

3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid (PubChem CID 62964578) 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-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
PubChem CID62964578
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1ccccn1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)17(10-13-6-4-5-7-16-13)14(18)8-12(3)9-15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)
InChIKeyLOEDBTSBHAIEBP-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

5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid (CID 62964578) is 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid is CC(CC(=O)O)CC(=O)N(Cc1ccccn1)C(C)C.
What is the InChIKey of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid?
The InChIKey is LOEDBTSBHAIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)17(10-13-6-4-5-7-16-13)14(18)8-12(3)9-15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid?
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-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-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 62964578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).