methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C20H31N3O4 — CID 52512147

IUPACmethyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C20H31N3O4/c1-12-9-22(10-13(2)27-12)11-16-7-6-8-23(16)19(24)18-14(3)17(15(4)21-18)20(25)26-5/h12-13,16,21H,6-11H2,1-5H3/t12-,13+,16-/m1/s1
InChIKeyORIOOJDTLYMYDC-DVOMOZLQSA-N
MW377.49 g/mol
LogP2.13
Rot. Bonds4

About methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 52512147) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID52512147
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Namemethyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C20H31N3O4/c1-12-9-22(10-13(2)27-12)11-16-7-6-8-23(16)19(24)18-14(3)17(15(4)21-18)20(25)26-5/h12-13,16,21H,6-11H2,1-5H3/t12-,13+,16-/m1/s1
InChIKeyORIOOJDTLYMYDC-DVOMOZLQSA-N
XLogP2.13
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 52512147) is methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is ORIOOJDTLYMYDC-DVOMOZLQSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-12-9-22(10-13(2)27-12)11-16-7-6-8-23(16)19(24)18-14(3)17(15(4)21-18)20(25)26-5/h12-13,16,21H,6-11H2,1-5H3/t12-,13+,16-/m1/s1.
What are the key properties of methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 52512147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).