methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate

C11H16N2O3 — CID 115123515

IUPACmethyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
SMILESCOC(=O)CCC(O)CNc1ccccn1
InChIInChI=1S/C11H16N2O3/c1-16-11(15)6-5-9(14)8-13-10-4-2-3-7-12-10/h2-4,7,9,14H,5-6,8H2,1H3,(H,12,13)
InChIKeyYXJMWPHZNDIMMB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds6

About methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate

methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate (PubChem CID 115123515) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
PubChem CID115123515
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
SMILESCOC(=O)CCC(O)CNc1ccccn1
InChIInChI=1S/C11H16N2O3/c1-16-11(15)6-5-9(14)8-13-10-4-2-3-7-12-10/h2-4,7,9,14H,5-6,8H2,1H3,(H,12,13)
InChIKeyYXJMWPHZNDIMMB-UHFFFAOYSA-N
XLogP0.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
CID 638982
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
methyl 4-hydroxy-5-(2,3,4-trimethylanilino)pentanoate
CID 115123520
methyl 4-hydroxy-5-[(3-methylthiophen-2-yl)amino]pentanoate
CID 115123526
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
methyl (4R)-4-hydroxy-5-(methylamino)pentanoate
CID 129125188
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate?
The IUPAC name of methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate (CID 115123515) is methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate.
What is the SMILES notation for methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate?
The canonical SMILES for methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate is COC(=O)CCC(O)CNc1ccccn1.
What is the InChIKey of methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate?
The InChIKey is YXJMWPHZNDIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-11(15)6-5-9(14)8-13-10-4-2-3-7-12-10/h2-4,7,9,14H,5-6,8H2,1H3,(H,12,13).
What are the key properties of methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate?
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate has a molecular weight of 224.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate is sourced from PubChem (CID 115123515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).