tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate

C15H28N2O4 — CID 87103326

IUPACtert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate
SMILESCON(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC1C(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)11-8-17(14(19)21-15(3,4)5)9-12(11)13(18)16(6)20-7/h10-12H,8-9H2,1-7H3
InChIKeyNWDLPJOVGQCKJZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate

tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 87103326) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID87103326
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate
SMILESCON(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC1C(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)11-8-17(14(19)21-15(3,4)5)9-12(11)13(18)16(6)20-7/h10-12H,8-9H2,1-7H3
InChIKeyNWDLPJOVGQCKJZ-UHFFFAOYSA-N
XLogP2.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-benzoyl-4-propan-2-ylpyrrolidine-1-carboxylate
CID 66677848
tert-butyl (3R,4R)-3,4-bis[ethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 75447651
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
tert-butyl (4S,4aS,8aR)-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 59665711
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
(2R)-2-[methoxy(methyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 155669456
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 6-(dimethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69499244
1-O-tert-butyl 3-O-methyl 4-methylpyrrolidine-1,3-dicarboxylate
CID 23590627
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate (CID 87103326) is tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate is CON(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC1C(C)C.
What is the InChIKey of tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is NWDLPJOVGQCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)11-8-17(14(19)21-15(3,4)5)9-12(11)13(18)16(6)20-7/h10-12H,8-9H2,1-7H3.
What are the key properties of tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate?
tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methoxy(methyl)carbamoyl]-4-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 87103326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).