2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid

C9H16N2O3 — CID 105452768

IUPAC2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
SMILESCC(C)CN1C(=O)CCN1CC(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(2)5-11-8(12)3-4-10(11)6-9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyJMSBEEPCVFCCJX-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.18
Rot. Bonds4

About 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid

2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid (PubChem CID 105452768) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
PubChem CID105452768
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
SMILESCC(C)CN1C(=O)CCN1CC(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(2)5-11-8(12)3-4-10(11)6-9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyJMSBEEPCVFCCJX-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

Analyze 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
CID 105467640
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
2-[4,7-bis(carboxymethyl)-10-(2-sulfanylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134517440
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
2-(2-oxoazetidin-1-yl)sulfanylacetic acid
CID 71415813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid (CID 105452768) is 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid is CC(C)CN1C(=O)CCN1CC(=O)O.
What is the InChIKey of 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid?
The InChIKey is JMSBEEPCVFCCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(2)5-11-8(12)3-4-10(11)6-9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid?
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic 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 2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid is sourced from PubChem (CID 105452768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).