methyl 4-methyl-4-pyridin-2-ylpentanoate

C12H17NO2 — CID 5323750

IUPACmethyl 4-methyl-4-pyridin-2-ylpentanoate
SMILESCOC(=O)CCC(C)(C)c1ccccn1
InChIInChI=1S/C12H17NO2/c1-12(2,8-7-11(14)15-3)10-6-4-5-9-13-10/h4-6,9H,7-8H2,1-3H3
InChIKeyFKKZHZGVIKCXRU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.31
Rot. Bonds4

About methyl 4-methyl-4-pyridin-2-ylpentanoate

methyl 4-methyl-4-pyridin-2-ylpentanoate (PubChem CID 5323750) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 4-methyl-4-pyridin-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-4-pyridin-2-ylpentanoate
PubChem CID5323750
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 4-methyl-4-pyridin-2-ylpentanoate
SMILESCOC(=O)CCC(C)(C)c1ccccn1
InChIInChI=1S/C12H17NO2/c1-12(2,8-7-11(14)15-3)10-6-4-5-9-13-10/h4-6,9H,7-8H2,1-3H3
InChIKeyFKKZHZGVIKCXRU-UHFFFAOYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
CID 10632775
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
CID 115123515
methyl 3-[(2-amino-3-pyridinyl)methylsulfanyl]propanoate
CID 62466963
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-4-pyridin-2-ylpentanoate?
The IUPAC name of methyl 4-methyl-4-pyridin-2-ylpentanoate (CID 5323750) is methyl 4-methyl-4-pyridin-2-ylpentanoate.
What is the SMILES notation for methyl 4-methyl-4-pyridin-2-ylpentanoate?
The canonical SMILES for methyl 4-methyl-4-pyridin-2-ylpentanoate is COC(=O)CCC(C)(C)c1ccccn1.
What is the InChIKey of methyl 4-methyl-4-pyridin-2-ylpentanoate?
The InChIKey is FKKZHZGVIKCXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,8-7-11(14)15-3)10-6-4-5-9-13-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 4-methyl-4-pyridin-2-ylpentanoate?
methyl 4-methyl-4-pyridin-2-ylpentanoate has a molecular weight of 207.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-4-pyridin-2-ylpentanoate is sourced from PubChem (CID 5323750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).