tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate

C21H38N2O3 — CID 124841780

IUPACtert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate
SMILESC[C@@H]1CC(N[C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@@H](C)O1
InChIInChI=1S/C21H38N2O3/c1-14-11-17(12-15(2)25-14)22-19(16-8-9-16)13-18-7-6-10-23(18)20(24)26-21(3,4)5/h14-19,22H,6-13H2,1-5H3/t14-,15-,18-,19-/m1/s1
InChIKeyBCQJMWVLQQDVBK-OHDICMOHSA-N
MW366.55 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 124841780) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID124841780
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Nametert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate
SMILESC[C@@H]1CC(N[C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@@H](C)O1
InChIInChI=1S/C21H38N2O3/c1-14-11-17(12-15(2)25-14)22-19(16-8-9-16)13-18-7-6-10-23(18)20(24)26-21(3,4)5/h14-19,22H,6-13H2,1-5H3/t14-,15-,18-,19-/m1/s1
InChIKeyBCQJMWVLQQDVBK-OHDICMOHSA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 104871958
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CID 72724635
tert-butyl 2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134341292
tert-butyl 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723649
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244434
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
CID 103062610

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate (CID 124841780) is tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate is C[C@@H]1CC(N[C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@@H](C)O1.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is BCQJMWVLQQDVBK-OHDICMOHSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-14-11-17(12-15(2)25-14)22-19(16-8-9-16)13-18-7-6-10-23(18)20(24)26-21(3,4)5/h14-19,22H,6-13H2,1-5H3/t14-,15-,18-,19-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 366.55 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 124841780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).