methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate

C14H21NO2 — CID 79739459

IUPACmethyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
SMILESCCc1ccc(CC(C(=O)OC)C(C)C)nc1
InChIInChI=1S/C14H21NO2/c1-5-11-6-7-12(15-9-11)8-13(10(2)3)14(16)17-4/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyBZPGWSBNQGUWQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds5

About methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate

methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate (PubChem CID 79739459) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
PubChem CID79739459
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
SMILESCCc1ccc(CC(C(=O)OC)C(C)C)nc1
InChIInChI=1S/C14H21NO2/c1-5-11-6-7-12(15-9-11)8-13(10(2)3)14(16)17-4/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyBZPGWSBNQGUWQZ-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
methyl (2R)-2-[(3,4-dihydroxyphenyl)methyl]-3-methylbutanoate
CID 70875448
methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
CID 134591352
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
[1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274346
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate (CID 79739459) is methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate is CCc1ccc(CC(C(=O)OC)C(C)C)nc1.
What is the InChIKey of methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate?
The InChIKey is BZPGWSBNQGUWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11-6-7-12(15-9-11)8-13(10(2)3)14(16)17-4/h6-7,9-10,13H,5,8H2,1-4H3.
What are the key properties of methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate?
methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate has a molecular weight of 235.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate is sourced from PubChem (CID 79739459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).