tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate

C10H20N2O2 — CID 68972263

IUPACtert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-6-8(12)11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyJTSBLYBEXPJERJ-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 68972263) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
PubChem CID68972263
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-6-8(12)11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyJTSBLYBEXPJERJ-QMMMGPOBSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-(methylamino)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

tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
CID 46856373
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl (2S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 11118647
tert-butyl 2-(propylamino)piperidine-1-carboxylate
CID 141154909
tert-butyl 2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 56993490
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2R)-2-ethynylpyrrolidine-1-carboxylate
CID 10262067

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate (CID 68972263) is tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate is CN[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is JTSBLYBEXPJERJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-6-8(12)11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 68972263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).