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Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate

C11H22N2O3 — CID 155675762

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-8(7-15-4)9(12)6-13/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKeyFCEKRQVFFRILLK-DTWKUNHWSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds2

About Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate

Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 155675762) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID155675762
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-8(7-15-4)9(12)6-13/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKeyFCEKRQVFFRILLK-DTWKUNHWSA-N
XLogP0.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate (CID 155675762) is tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate is COC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N.
What is the InChIKey of Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is FCEKRQVFFRILLK-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-8(7-15-4)9(12)6-13/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate?
Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 155675762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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