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

C7H11NO3 — CID 40574462

IUPACmethyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJFZRRXGXEHUJCI-RXMQYKEDSA-N
MW157.17 g/mol
LogP-0.36
Rot. Bonds1

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

methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 40574462) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate
PubChem CID40574462
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJFZRRXGXEHUJCI-RXMQYKEDSA-N
XLogP-0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 108402
1-Methyl-5-oxopyrrolidine-3-carboxylic acid
CID 122766
5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3163418
5-Oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 13118117
1-Hexyl-4-methoxycarbonyl-2-pyrrolidone
CID 3054633
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
Sodium 1-methyl-5-oxopyrrolidine-3-carboxylate
CID 23695988
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
Methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 17389893

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate (CID 40574462) is methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JFZRRXGXEHUJCI-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate?
methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-methyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 40574462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).