tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate

C16H28N2O4 — CID 103916187

IUPACtert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCC(=O)NCC2CC2)C1
InChIInChI=1S/C16H28N2O4/c1-15(2,3)22-14(20)18-8-7-16(4,11-18)21-10-13(19)17-9-12-5-6-12/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyYXEXUZCFKURVSN-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds5

About tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate

tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate (PubChem CID 103916187) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
PubChem CID103916187
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCC(=O)NCC2CC2)C1
InChIInChI=1S/C16H28N2O4/c1-15(2,3)22-14(20)18-8-7-16(4,11-18)21-10-13(19)17-9-12-5-6-12/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyYXEXUZCFKURVSN-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 83207478
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206
tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
CID 83206251
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 90157019
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate (CID 103916187) is tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(OCC(=O)NCC2CC2)C1.
What is the InChIKey of tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The InChIKey is YXEXUZCFKURVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-15(2,3)22-14(20)18-8-7-16(4,11-18)21-10-13(19)17-9-12-5-6-12/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 103916187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).