tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate

C11H22N2O3 — CID 83911559

IUPACtert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-5-11(12,7-13)8-15-4/h5-8,12H2,1-4H3
InChIKeyHVLKPNYTIZDTEC-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 83911559) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID83911559
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-5-11(12,7-13)8-15-4/h5-8,12H2,1-4H3
InChIKeyHVLKPNYTIZDTEC-UHFFFAOYSA-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 3-amino-3-(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
tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 24730317
tert-Butyl 3-amino-3-methylpyrrolidine-1-carboxylate
CID 57415917
Tert-butyl 9-oxa-2,6-diazaspiro(4.5)decane-2-carboxylate
CID 82386804
Tert-butyl 9-oxa-2,6-diazaspiro(4.5)decane-6-carboxylate
CID 82386805
(S)-t-Butyl 3-amino-3-methylpyrrolidine-1-carboxylate
CID 86328910
tert-butyl (3R)-3-amino-3-methylpyrrolidine-1-carboxylate
CID 86328912
tert-butyl (4R)-4-(2-aminoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 165603866
Tert-butyl 2-(aminomethyl)-4-methoxypyrrolidine-1-carboxylate
CID 77452832
Tert-butyl 3-amino-3-(2-methoxyethyl)pyrrolidine-1-carboxylate
CID 83912850
Tert-butyl 2-oxa-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 126970461

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate (CID 83911559) is tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1(N)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is HVLKPNYTIZDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-5-11(12,7-13)8-15-4/h5-8,12H2,1-4H3.
What are the key properties of tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-amino-3-(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 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83911559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).