methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate

C13H17NO3 — CID 164769702

IUPACmethyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H](OC)CCN1c1ccccc1
InChIInChI=1S/C13H17NO3/c1-16-11-8-9-14(12(11)13(15)17-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyWXJPHQNZPUVCCW-VXGBXAGGSA-N
MW235.28 g/mol
LogP1.45
Rot. Bonds3

About methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate

methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate (PubChem CID 164769702) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate
PubChem CID164769702
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H](OC)CCN1c1ccccc1
InChIInChI=1S/C13H17NO3/c1-16-11-8-9-14(12(11)13(15)17-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyWXJPHQNZPUVCCW-VXGBXAGGSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 11492698
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
CID 141103843
(2S)-1-phenylazetidine-2-carboxylic acid
CID 57017156
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl (2S,3S)-3-(cyanomethyl)-4-oxo-1-phenylpyrrolidine-2-carboxylate
CID 137397996
methyl (3R,4R)-4-(4-methylbenzoyl)-1-phenylpyrrolidine-3-carboxylate
CID 1484818
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
methyl 2-phenyloxaziridine-3-carboxylate
CID 87926352
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate (CID 164769702) is methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate is COC(=O)[C@H]1[C@H](OC)CCN1c1ccccc1.
What is the InChIKey of methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate?
The InChIKey is WXJPHQNZPUVCCW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-8-9-14(12(11)13(15)17-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate?
methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-methoxy-1-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 164769702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).