tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate

C12H21NO3 — CID 130861472

IUPACtert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-9(14)7-10-5-6-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyRAJZCIOEJRDKLT-SNVBAGLBSA-N
MW227.30 g/mol
LogP2.22
Rot. Bonds2

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

tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 130861472) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID130861472
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-9(14)7-10-5-6-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyRAJZCIOEJRDKLT-SNVBAGLBSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
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 (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-[(2Z)-2-amino-2-hydroxyiminoethyl]pyrrolidine-1-carboxylate
CID 122237136
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
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate (CID 130861472) is tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate is CC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is RAJZCIOEJRDKLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(14)7-10-5-6-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 130861472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).