methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

C14H23N3O6 — CID 58677259

IUPACmethyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC)C1=O
InChIInChI=1S/C14H23N3O6/c1-21-9-11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)22-2/h10-11H,3-9H2,1-2H3,(H,15,20)/t10-,11-/m0/s1
InChIKeyPFAFOZPMLDJAPG-QWRGUYRKSA-N
MW329.35 g/mol
LogP-1.18
Rot. Bonds5

About methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 58677259) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID58677259
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Namemethyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC)C1=O
InChIInChI=1S/C14H23N3O6/c1-21-9-11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)22-2/h10-11H,3-9H2,1-2H3,(H,15,20)/t10-,11-/m0/s1
InChIKeyPFAFOZPMLDJAPG-QWRGUYRKSA-N
XLogP-1.18
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 58677259) is methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is COC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC)C1=O.
What is the InChIKey of methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is PFAFOZPMLDJAPG-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-21-9-11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)22-2/h10-11H,3-9H2,1-2H3,(H,15,20)/t10-,11-/m0/s1.
What are the key properties of methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 329.35 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58677259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).