3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid

C14H20N2O3 — CID 62966262

IUPAC3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H20N2O3/c1-11(10-14(18)19)9-13(17)16(2)8-5-12-3-6-15-7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,18,19)
InChIKeySXINYSDZRJCWCL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.58
Rot. Bonds7

About 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid

3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid (PubChem CID 62966262) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
PubChem CID62966262
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H20N2O3/c1-11(10-14(18)19)9-13(17)16(2)8-5-12-3-6-15-7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,18,19)
InChIKeySXINYSDZRJCWCL-UHFFFAOYSA-N
XLogP1.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 112516763
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113115956
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
4,4,4-trifluoro-3-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
CID 63067094
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid (CID 62966262) is 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N(C)CCc1ccncc1.
What is the InChIKey of 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid?
The InChIKey is SXINYSDZRJCWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(10-14(18)19)9-13(17)16(2)8-5-12-3-6-15-7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid?
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62966262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).