methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C15H26N2O3 — CID 58209506

IUPACmethyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESC=C1C[C@@H](C(C)C)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-9(2)12-7-11(5)8-17(12)14(18)13(10(3)4)16-15(19)20-6/h9-10,12-13H,5,7-8H2,1-4,6H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyUTRHKWBSDKXZDE-STQMWFEESA-N
MW282.38 g/mol
LogP2.18
Rot. Bonds4

About methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 58209506) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID58209506
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESC=C1C[C@@H](C(C)C)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-9(2)12-7-11(5)8-17(12)14(18)13(10(3)4)16-15(19)20-6/h9-10,12-13H,5,7-8H2,1-4,6H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyUTRHKWBSDKXZDE-STQMWFEESA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 58209506) is methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is C=C1C[C@@H](C(C)C)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is UTRHKWBSDKXZDE-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(2)12-7-11(5)8-17(12)14(18)13(10(3)4)16-15(19)20-6/h9-10,12-13H,5,7-8H2,1-4,6H3,(H,16,19)/t12-,13-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-[(2S)-4-methylidene-2-propan-2-ylpyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58209506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).