methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate

C13H25N3O2 — CID 71213650

IUPACmethyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@H](N)C[C@@H]1CN1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C13H25N3O2/c1-9-4-5-10(2)15(9)8-12-6-11(14)7-16(12)13(17)18-3/h9-12H,4-8,14H2,1-3H3/t9-,10-,11+,12+/m0/s1
InChIKeyDXBXINUNPMZPAT-NNYUYHANSA-N
MW255.36 g/mol
LogP1.03
Rot. Bonds2

About methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate

methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 71213650) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID71213650
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namemethyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@H](N)C[C@@H]1CN1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C13H25N3O2/c1-9-4-5-10(2)15(9)8-12-6-11(14)7-16(12)13(17)18-3/h9-12H,4-8,14H2,1-3H3/t9-,10-,11+,12+/m0/s1
InChIKeyDXBXINUNPMZPAT-NNYUYHANSA-N
XLogP1.03
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate (CID 71213650) is methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate is COC(=O)N1C[C@H](N)C[C@@H]1CN1[C@@H](C)CC[C@@H]1C.
What is the InChIKey of methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is DXBXINUNPMZPAT-NNYUYHANSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9-4-5-10(2)15(9)8-12-6-11(14)7-16(12)13(17)18-3/h9-12H,4-8,14H2,1-3H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-amino-2-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71213650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).