tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate

C10H20N2O2 — CID 19354295

IUPACtert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate
SMILESCC1CC(N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-8(11)6-12(7)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyRDMVVTNPIKHJHP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.34
Rot. Bonds

About tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate

tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate (PubChem CID 19354295) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate
PubChem CID19354295
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate
SMILESCC1CC(N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-8(11)6-12(7)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyRDMVVTNPIKHJHP-UHFFFAOYSA-N
XLogP1.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-amino-2-methylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate (CID 19354295) is tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate is CC1CC(N)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate?
The InChIKey is RDMVVTNPIKHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-8(11)6-12(7)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate?
tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 19354295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).