methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate

C13H22N2O5 — CID 58984947

IUPACmethyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
SMILESCOC(=O)CCC(=O)CNC(=O)[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C13H22N2O5/c1-15-8-10(19-2)6-11(15)13(18)14-7-9(16)4-5-12(17)20-3/h10-11H,4-8H2,1-3H3,(H,14,18)/t10-,11-/m0/s1
InChIKeyGTHARAWAGZTILC-QWRGUYRKSA-N
MW286.33 g/mol
LogP-0.66
Rot. Bonds7

About methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate

methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate (PubChem CID 58984947) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
PubChem CID58984947
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
SMILESCOC(=O)CCC(=O)CNC(=O)[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C13H22N2O5/c1-15-8-10(19-2)6-11(15)13(18)14-7-9(16)4-5-12(17)20-3/h10-11H,4-8H2,1-3H3,(H,14,18)/t10-,11-/m0/s1
InChIKeyGTHARAWAGZTILC-QWRGUYRKSA-N
XLogP-0.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
The IUPAC name of methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate (CID 58984947) is methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate.
What is the SMILES notation for methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
The canonical SMILES for methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate is COC(=O)CCC(=O)CNC(=O)[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
The InChIKey is GTHARAWAGZTILC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-15-8-10(19-2)6-11(15)13(18)14-7-9(16)4-5-12(17)20-3/h10-11H,4-8H2,1-3H3,(H,14,18)/t10-,11-/m0/s1.
What are the key properties of methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate has a molecular weight of 286.33 g/mol, XLogP of -0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate is sourced from PubChem (CID 58984947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).