methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate

C10H17NO3 — CID 92755216

IUPACmethyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)11-6-7(5-8(11)12)9(13)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyZGVJCGNGCLAOIV-SSDOTTSWSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds1

About methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate

methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 92755216) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
PubChem CID92755216
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)11-6-7(5-8(11)12)9(13)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyZGVJCGNGCLAOIV-SSDOTTSWSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82680909
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 168692968
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9352536
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
(3S)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438279
(3R)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438277
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate (CID 92755216) is methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is ZGVJCGNGCLAOIV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)11-6-7(5-8(11)12)9(13)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate?
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 92755216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).