tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate

C11H20N2O3 — CID 152550195

IUPACtert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](CC(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-5-4-8(7-13)6-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m1/s1
InChIKeyYNICKZBCFXMJGJ-MRVPVSSYSA-N
MW228.29 g/mol
LogP1.12
Rot. Bonds2

About tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 152550195) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID152550195
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](CC(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-5-4-8(7-13)6-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m1/s1
InChIKeyYNICKZBCFXMJGJ-MRVPVSSYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-(2-amino-2-oxoethyl)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 (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-[(2Z)-2-amino-2-hydroxyiminoethyl]pyrrolidine-1-carboxylate
CID 122237136
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate
CID 35549272
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid
CID 144976953
tert-butyl 3-[(3E)-3-hydroxyimino-2-oxopropyl]pyrrolidine-1-carboxylate
CID 172987938

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate (CID 152550195) is tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](CC(N)=O)C1.
What is the InChIKey of tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is YNICKZBCFXMJGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-5-4-8(7-13)6-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 152550195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).