methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate

C15H19NO5 — CID 99984117

IUPACmethyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C15H19NO5/c1-19-11-6-4-5-10(7-11)14(17)16-9-12(20-2)8-13(16)15(18)21-3/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyCZBQHBPZUBGBNM-STQMWFEESA-N
MW293.32 g/mol
LogP1.10
Rot. Bonds4

About methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 99984117) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID99984117
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C15H19NO5/c1-19-11-6-4-5-10(7-11)14(17)16-9-12(20-2)8-13(16)15(18)21-3/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyCZBQHBPZUBGBNM-STQMWFEESA-N
XLogP1.10
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128984749
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128985160
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
4-methoxy-1-[3-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 120534458
methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 75420393
methyl 4-(2-fluorophenoxy)-1-[3-(4-fluorophenoxy)benzoyl]pyrrolidine-2-carboxylate
CID 90620215
(2S,4S)-4-methoxy-1-[3-(3-methylbut-2-enoxy)benzoyl]pyrrolidine-2-carboxamide
CID 128983851
methyl (2S,4R)-4-methoxy-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 100705749
methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 90620084
methyl (2S,4R)-4-methoxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylate
CID 100704929
methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate
CID 90620312

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 99984117) is methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(OC)c1.
What is the InChIKey of methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is CZBQHBPZUBGBNM-STQMWFEESA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-11-6-4-5-10(7-11)14(17)16-9-12(20-2)8-13(16)15(18)21-3/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 99984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).