tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate

C10H20N2O2 — CID 86328910

IUPACtert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](C)(N)C1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-5-10(4,11)7-12/h5-7,11H2,1-4H3/t10-/m0/s1
InChIKeyKYRWEDDXBNZACB-JTQLQIEISA-N
MW200.28 g/mol
LogP1.34
Rot. Bonds

About tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate

tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate (PubChem CID 86328910) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate
PubChem CID86328910
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](C)(N)C1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-5-10(4,11)7-12/h5-7,11H2,1-4H3/t10-/m0/s1
InChIKeyKYRWEDDXBNZACB-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate (CID 86328910) is tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@](C)(N)C1.
What is the InChIKey of tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate?
The InChIKey is KYRWEDDXBNZACB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-5-10(4,11)7-12/h5-7,11H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate?
tert-butyl (3S)-3-amino-3-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 (3S)-3-amino-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 86328910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).