methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate

C14H22N2O3 — CID 115123658

IUPACmethyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
SMILESCOC(=O)CCC(O)CN(C)CCc1cccnc1
InChIInChI=1S/C14H22N2O3/c1-16(9-7-12-4-3-8-15-10-12)11-13(17)5-6-14(18)19-2/h3-4,8,10,13,17H,5-7,9,11H2,1-2H3
InChIKeyBQJPAYJUINTXPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.87
Rot. Bonds8

About methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate

methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate (PubChem CID 115123658) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
PubChem CID115123658
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
SMILESCOC(=O)CCC(O)CN(C)CCc1cccnc1
InChIInChI=1S/C14H22N2O3/c1-16(9-7-12-4-3-8-15-10-12)11-13(17)5-6-14(18)19-2/h3-4,8,10,13,17H,5-7,9,11H2,1-2H3
InChIKeyBQJPAYJUINTXPV-UHFFFAOYSA-N
XLogP0.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate
CID 115123618
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
CID 115220133
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]but-2-enoic acid
CID 115237374

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate?
The IUPAC name of methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate (CID 115123658) is methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate.
What is the SMILES notation for methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate?
The canonical SMILES for methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate is COC(=O)CCC(O)CN(C)CCc1cccnc1.
What is the InChIKey of methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate?
The InChIKey is BQJPAYJUINTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(9-7-12-4-3-8-15-10-12)11-13(17)5-6-14(18)19-2/h3-4,8,10,13,17H,5-7,9,11H2,1-2H3.
What are the key properties of methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate?
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate has a molecular weight of 266.34 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate is sourced from PubChem (CID 115123658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).