methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate

C14H21NO3 — CID 170640549

IUPACmethyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
SMILESCCCC(C)COc1ccc(CC(=O)OC)nc1
InChIInChI=1S/C14H21NO3/c1-4-5-11(2)10-18-13-7-6-12(15-9-13)8-14(16)17-3/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyCZORZRNLMOCZFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.61
Rot. Bonds7

About methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate

methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate (PubChem CID 170640549) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
PubChem CID170640549
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
SMILESCCCC(C)COc1ccc(CC(=O)OC)nc1
InChIInChI=1S/C14H21NO3/c1-4-5-11(2)10-18-13-7-6-12(15-9-13)8-14(16)17-3/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyCZORZRNLMOCZFH-UHFFFAOYSA-N
XLogP2.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
CID 176893719
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79775490
methyl (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
CID 134130014
methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
CID 170337554
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[2-(4-nitrophenyl)acetyl]amino]acetate
CID 134130370
methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
CID 134130479
[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-oxoethyl]carbamic acid
CID 89116603
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate (CID 170640549) is methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate is CCCC(C)COc1ccc(CC(=O)OC)nc1.
What is the InChIKey of methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
The InChIKey is CZORZRNLMOCZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-5-11(2)10-18-13-7-6-12(15-9-13)8-14(16)17-3/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 170640549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).