methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate

C15H21NO4 — CID 115971497

IUPACmethyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOc1ccccc1CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C15H21NO4/c1-3-20-14-7-5-4-6-11(14)9-16-10-12(17)8-13(16)15(18)19-2/h4-7,12-13,17H,3,8-10H2,1-2H3
InChIKeyXDHHFUNDTXOEON-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.19
Rot. Bonds5

About methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115971497) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115971497
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOc1ccccc1CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C15H21NO4/c1-3-20-14-7-5-4-6-11(14)9-16-10-12(17)8-13(16)15(18)19-2/h4-7,12-13,17H,3,8-10H2,1-2H3
InChIKeyXDHHFUNDTXOEON-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351656
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[(4-fluorobenzoyl)amino]pyrrolidine-2-carboxylate
CID 42501369
methyl (2S,4R)-4-hydroxy-1-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]pyrrolidine-2-carboxylate
CID 46992000
methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 112632795
methyl (2R,4S)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 99858645
methyl (2R,4R)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 99824076
methyl (2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 97159593
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
methyl 1-(2-ethoxyphenyl)aziridine-2-carboxylate
CID 117009920
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate (CID 115971497) is methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate is CCOc1ccccc1CN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is XDHHFUNDTXOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-20-14-7-5-4-6-11(14)9-16-10-12(17)8-13(16)15(18)19-2/h4-7,12-13,17H,3,8-10H2,1-2H3.
What are the key properties of methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115971497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).