methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate

C8H13NO3 — CID 170372389

IUPACmethyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@H](C)CC1=O
InChIInChI=1S/C8H13NO3/c1-6-3-7(10)9(4-6)5-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyBHZBHIAKPCRXRJ-ZCFIWIBFSA-N
MW171.20 g/mol
LogP0.03
Rot. Bonds2

About methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate

methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate (PubChem CID 170372389) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
PubChem CID170372389
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@H](C)CC1=O
InChIInChI=1S/C8H13NO3/c1-6-3-7(10)9(4-6)5-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyBHZBHIAKPCRXRJ-ZCFIWIBFSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate
CID 10965896
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate
CID 10559902
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
methyl 2-ethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate
CID 77101288
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63103199

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate (CID 170372389) is methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate is COC(=O)CN1C[C@H](C)CC1=O.
What is the InChIKey of methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is BHZBHIAKPCRXRJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6-3-7(10)9(4-6)5-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 171.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 170372389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).