5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid

C14H20N2O3 — CID 115163912

IUPAC5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CNC(=O)CCCC(=O)O)c1ccccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,11-6-3-4-9-15-11)10-16-12(17)7-5-8-13(18)19/h3-4,6,9H,5,7-8,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMXSIKDJSOUPFHH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds7

About 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid

5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid (PubChem CID 115163912) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
PubChem CID115163912
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CNC(=O)CCCC(=O)O)c1ccccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,11-6-3-4-9-15-11)10-16-12(17)7-5-8-13(18)19/h3-4,6,9H,5,7-8,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMXSIKDJSOUPFHH-UHFFFAOYSA-N
XLogP1.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide
CID 138017145
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
CID 10632775
methyl 4-methyl-4-pyridin-2-ylpentanoate
CID 5323750
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 110442654
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
CID 107909678
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 115262628

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid (CID 115163912) is 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid is CC(C)(CNC(=O)CCCC(=O)O)c1ccccn1.
What is the InChIKey of 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid?
The InChIKey is MXSIKDJSOUPFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,11-6-3-4-9-15-11)10-16-12(17)7-5-8-13(18)19/h3-4,6,9H,5,7-8,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid?
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 115163912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).