3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid

C9H16N2O3 — CID 105452750

IUPAC3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
SMILESCCN1C(=O)CCN1CC(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-3-11-8(12)4-5-10(11)6-7(2)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyOAXRROSYAPTWHR-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.18
Rot. Bonds4

About 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid

3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid (PubChem CID 105452750) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
PubChem CID105452750
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
SMILESCCN1C(=O)CCN1CC(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-3-11-8(12)4-5-10(11)6-7(2)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyOAXRROSYAPTWHR-UHFFFAOYSA-N
XLogP0.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid
CID 112546783
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one
CID 105442203
2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
CID 62933969
2-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)propanoic acid
CID 117029892
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
CID 105467640
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid (CID 105452750) is 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid is CCN1C(=O)CCN1CC(C)C(=O)O.
What is the InChIKey of 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid?
The InChIKey is OAXRROSYAPTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-11-8(12)4-5-10(11)6-7(2)9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid?
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105452750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).