tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate

C11H22N2O3 — CID 70267638

IUPACtert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKeyWZADLKHOAYNHPG-RKDXNWHRSA-N
MW230.31 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 70267638) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID70267638
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKeyWZADLKHOAYNHPG-RKDXNWHRSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-tert-butyl (3R,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate
CID 11820622
rel-1,1-Dimethylethyl (3R,4R)-3-amino-4-methoxy-1-pyrrolidinecarboxylate
CID 16227912
(2S,4S)-tert-butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 44828599
(2R,4S)-tert-butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 44828601
tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 45072313
(2R,4R)-1-Boc-2-Hydroxymethyl-4-aminopyrrolidine hydrochloride
CID 45072437
Tert-butyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 89924062
tert-butyl(4R)-4-(2-aminoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 165603866
Tert-butyl 4-{[(oxolan-2-yl)methyl]amino}piperidine-1-carboxylate
CID 43652158
(2R,4S)-tert-Butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate hydrochloride
CID 44828600
tert-butyl N-((oxolan-2-yl)methyl)-N-(piperidin-4-yl)carbamate
CID 50986370
Tert-butyl 3-{[(oxolan-2-yl)methyl]amino}azetidine-1-carboxylate
CID 63302757

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 70267638) is tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate is COC[C@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is WZADLKHOAYNHPG-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).