methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate

C15H27N3O5 — CID 58185264

IUPACmethyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CC[C@H](OC(=O)NC(C)C)C1)C(C)C
InChIInChI=1S/C15H27N3O5/c1-9(2)12(17-14(20)22-5)13(19)18-7-6-11(8-18)23-15(21)16-10(3)4/h9-12H,6-8H2,1-5H3,(H,16,21)(H,17,20)/t11-,12-/m0/s1
InChIKeyNXRJCLWEIZHMBG-RYUDHWBXSA-N
MW329.40 g/mol
LogP1.10
Rot. Bonds5

About methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 58185264) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate
PubChem CID58185264
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Namemethyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CC[C@H](OC(=O)NC(C)C)C1)C(C)C
InChIInChI=1S/C15H27N3O5/c1-9(2)12(17-14(20)22-5)13(19)18-7-6-11(8-18)23-15(21)16-10(3)4/h9-12H,6-8H2,1-5H3,(H,16,21)(H,17,20)/t11-,12-/m0/s1
InChIKeyNXRJCLWEIZHMBG-RYUDHWBXSA-N
XLogP1.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate (CID 58185264) is methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1CC[C@H](OC(=O)NC(C)C)C1)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate?
The InChIKey is NXRJCLWEIZHMBG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-9(2)12(17-14(20)22-5)13(19)18-7-6-11(8-18)23-15(21)16-10(3)4/h9-12H,6-8H2,1-5H3,(H,16,21)(H,17,20)/t11-,12-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 58185264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).