tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate

C17H30N2O3 — CID 118444524

IUPACtert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
SMILESCC(C)[C@]1(C)CCN(C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N2O3/c1-12(2)17(6)8-10-18(11-17)14(20)13-7-9-19(13)15(21)22-16(3,4)5/h12-13H,7-11H2,1-6H3/t13-,17+/m0/s1
InChIKeyYPKPXVZAFOKSQB-SUMWQHHRSA-N
MW310.44 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate

tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate (PubChem CID 118444524) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
PubChem CID118444524
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
SMILESCC(C)[C@]1(C)CCN(C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N2O3/c1-12(2)17(6)8-10-18(11-17)14(20)13-7-9-19(13)15(21)22-16(3,4)5/h12-13H,7-11H2,1-6H3/t13-,17+/m0/s1
InChIKeyYPKPXVZAFOKSQB-SUMWQHHRSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-fluoro-3-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444608
tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate
CID 122152359
tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
CID 175527976
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate
CID 126816753
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444542
(5R)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444543
tert-butyl (2R)-2-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]pyrrolidine-1-carboxylate
CID 7001870
tert-butyl 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxylate
CID 3622114
(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444517

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate (CID 118444524) is tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate is CC(C)[C@]1(C)CCN(C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate?
The InChIKey is YPKPXVZAFOKSQB-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12(2)17(6)8-10-18(11-17)14(20)13-7-9-19(13)15(21)22-16(3,4)5/h12-13H,7-11H2,1-6H3/t13-,17+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate?
tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate is sourced from PubChem (CID 118444524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).