2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid

C10H18N2O3 — CID 105467609

IUPAC2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid
SMILESCC(C)C1(C)CC(=O)N(CC(=O)O)N1C
InChIInChI=1S/C10H18N2O3/c1-7(2)10(3)5-8(13)12(11(10)4)6-9(14)15/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyATJZJLWZNPXISR-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.56
Rot. Bonds3

About 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid

2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid (PubChem CID 105467609) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid
PubChem CID105467609
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid
SMILESCC(C)C1(C)CC(=O)N(CC(=O)O)N1C
InChIInChI=1S/C10H18N2O3/c1-7(2)10(3)5-8(13)12(11(10)4)6-9(14)15/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyATJZJLWZNPXISR-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-3-oxo-1,2-diazaspiro[4.4]nonan-2-yl)acetic acid
CID 105465896
5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105442163
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoic acid
CID 43437456
2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetic acid
CID 11084583
5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441178
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65298317
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid
CID 63647102
(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid
CID 10512265
2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
CID 105467640
3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
CID 112546718

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid (CID 105467609) is 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid is CC(C)C1(C)CC(=O)N(CC(=O)O)N1C.
What is the InChIKey of 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid?
The InChIKey is ATJZJLWZNPXISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)10(3)5-8(13)12(11(10)4)6-9(14)15/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid?
2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid is sourced from PubChem (CID 105467609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).