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

C8H14N2O3 — CID 105442055

IUPAC2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
SMILESCC(C)N1C(=O)CCN1CC(=O)O
InChIInChI=1S/C8H14N2O3/c1-6(2)10-7(11)3-4-9(10)5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyWPHCPVUNRFJDQM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.07
Rot. Bonds3

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

2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid (PubChem CID 105442055) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
PubChem CID105442055
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
SMILESCC(C)N1C(=O)CCN1CC(=O)O
InChIInChI=1S/C8H14N2O3/c1-6(2)10-7(11)3-4-9(10)5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyWPHCPVUNRFJDQM-UHFFFAOYSA-N
XLogP-0.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid (CID 105442055) is 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid is CC(C)N1C(=O)CCN1CC(=O)O.
What is the InChIKey of 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid?
The InChIKey is WPHCPVUNRFJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(2)10-7(11)3-4-9(10)5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid?
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid is sourced from PubChem (CID 105442055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).