methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate

C13H20N2O3 — CID 115123618

IUPACmethyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate
SMILESCOC(=O)CCC(O)CN(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O3/c1-15(9-11-5-7-14-8-6-11)10-12(16)3-4-13(17)18-2/h5-8,12,16H,3-4,9-10H2,1-2H3
InChIKeyHTQGVLVNCRKHRV-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.83
Rot. Bonds7

About methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate

methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate (PubChem CID 115123618) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate
PubChem CID115123618
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate
SMILESCOC(=O)CCC(O)CN(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O3/c1-15(9-11-5-7-14-8-6-11)10-12(16)3-4-13(17)18-2/h5-8,12,16H,3-4,9-10H2,1-2H3
InChIKeyHTQGVLVNCRKHRV-UHFFFAOYSA-N
XLogP0.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
methyl 3-pyridin-4-ylpropanoate
CID 3704115
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
methyl 4-[(3-fluorophenyl)methyl-methylamino]-3-hydroxybutanoate
CID 115123397
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
methyl 3-[[(2R)-2-aminopropanoyl]-(pyridin-4-ylmethyl)amino]propanoate;hydrochloride
CID 120873027
5-[(3,4-dimethylphenyl)methyl-methylamino]-4-hydroxypentanoic acid
CID 115122727
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate?
The IUPAC name of methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate (CID 115123618) is methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate.
What is the SMILES notation for methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate?
The canonical SMILES for methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate is COC(=O)CCC(O)CN(C)Cc1ccncc1.
What is the InChIKey of methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate?
The InChIKey is HTQGVLVNCRKHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(9-11-5-7-14-8-6-11)10-12(16)3-4-13(17)18-2/h5-8,12,16H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate?
methyl 4-hydroxy-5-[methyl(pyridin-4-ylmethyl)amino]pentanoate has a molecular weight of 252.31 g/mol, XLogP of 0.83, 7 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(pyridin-4-ylmethyl)amino]pentanoate is sourced from PubChem (CID 115123618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).