3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid

C10H17NO3 — CID 65220431

IUPAC3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
SMILESCC(C)C(CN1CCCC1=O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7(2)8(10(13)14)6-11-5-3-4-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyTZJMIZRHGFOCAA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds4

About 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid

3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid (PubChem CID 65220431) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
PubChem CID65220431
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
SMILESCC(C)C(CN1CCCC1=O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7(2)8(10(13)14)6-11-5-3-4-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyTZJMIZRHGFOCAA-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid
CID 65221997
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid
CID 65219873
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697
2-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842030
1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 65014980

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid (CID 65220431) is 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid is CC(C)C(CN1CCCC1=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid?
The InChIKey is TZJMIZRHGFOCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)8(10(13)14)6-11-5-3-4-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid?
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 65220431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).