methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate

C15H20N2O5 — CID 119787113

IUPACmethyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H20N2O5/c1-21-14(19)9-22-12-4-2-3-10(5-12)7-17-15(20)13-6-11(18)8-16-13/h2-5,11,13,16,18H,6-9H2,1H3,(H,17,20)
InChIKeyOKJYAJIZSOFGTD-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.42
Rot. Bonds6

About methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate

methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate (PubChem CID 119787113) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
PubChem CID119787113
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namemethyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H20N2O5/c1-21-14(19)9-22-12-4-2-3-10(5-12)7-17-15(20)13-6-11(18)8-16-13/h2-5,11,13,16,18H,6-9H2,1H3,(H,17,20)
InChIKeyOKJYAJIZSOFGTD-UHFFFAOYSA-N
XLogP-0.42
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate with MolForge

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Related Compounds

(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
methyl 2-[3-[(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325626
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate (CID 119787113) is methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate is COC(=O)COc1cccc(CNC(=O)C2CC(O)CN2)c1.
What is the InChIKey of methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate?
The InChIKey is OKJYAJIZSOFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-21-14(19)9-22-12-4-2-3-10(5-12)7-17-15(20)13-6-11(18)8-16-13/h2-5,11,13,16,18H,6-9H2,1H3,(H,17,20).
What are the key properties of methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate?
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate has a molecular weight of 308.33 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate is sourced from PubChem (CID 119787113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).