methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate

C14H17NO4 — CID 22212303

IUPACmethyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C14H17NO4/c1-18-11-6-3-5-10(9-11)13(16)15-8-4-7-12(15)14(17)19-2/h3,5-6,9,12H,4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyVBOFDAWUWYXRJT-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.47
Rot. Bonds3

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

methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 22212303) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID22212303
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C14H17NO4/c1-18-11-6-3-5-10(9-11)13(16)15-8-4-7-12(15)14(17)19-2/h3,5-6,9,12H,4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyVBOFDAWUWYXRJT-LBPRGKRZSA-N
XLogP1.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 99984117
N-(1-benzylpiperidin-4-yl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42696104
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 22212303) is methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)c1cccc(OC)c1.
What is the InChIKey of methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is VBOFDAWUWYXRJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-11-6-3-5-10(9-11)13(16)15-8-4-7-12(15)14(17)19-2/h3,5-6,9,12H,4,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 22212303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).