lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid

C10H19LiN2O4 — CID 173049616

IUPAClithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1NCC[C@H]1C(=O)O.[H-].[Li+]
InChIInChI=1S/C10H18N2O4.Li.H/c1-10(2,3)16-8(13)6-12-7(9(14)15)4-5-11-12;;/h7,11H,4-6H2,1-3H3,(H,14,15);;/q;+1;-1/t7-;;/m0../s1
InChIKeyZSALKZMFXBUNSB-KLXURFKVSA-N
MW238.21 g/mol
LogP-2.89
Rot. Bonds3

About lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid

lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid (PubChem CID 173049616) has the molecular formula C10H19LiN2O4 and a molecular weight of 238.21 g/mol. Its IUPAC name is lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid
PubChem CID173049616
Molecular FormulaC10H19LiN2O4
Molecular Weight238.21 g/mol
Exact Mass238.15
IUPAC Namelithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1NCC[C@H]1C(=O)O.[H-].[Li+]
InChIInChI=1S/C10H18N2O4.Li.H/c1-10(2,3)16-8(13)6-12-7(9(14)15)4-5-11-12;;/h7,11H,4-6H2,1-3H3,(H,14,15);;/q;+1;-1/t7-;;/m0../s1
InChIKeyZSALKZMFXBUNSB-KLXURFKVSA-N
XLogP-2.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-2.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic 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

lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
CID 174671152
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
CID 146596831
(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid
CID 124662011
3-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]pyrrolidine-2-carboxylic acid
CID 175727288
tert-butyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetate
CID 115314315
tert-butyl 2-[(3S)-3-methylpiperazin-1-yl]acetate
CID 104976913
tert-butyl 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]acetate
CID 102683054
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
2-[4,7-bis(2,2-dimethylpropyl)-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90246965
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid?
The IUPAC name of lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid (CID 173049616) is lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid.
What is the SMILES notation for lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid?
The canonical SMILES for lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid is CC(C)(C)OC(=O)CN1NCC[C@H]1C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid?
The InChIKey is ZSALKZMFXBUNSB-KLXURFKVSA-N. The full InChI is InChI=1S/C10H18N2O4.Li.H/c1-10(2,3)16-8(13)6-12-7(9(14)15)4-5-11-12;;/h7,11H,4-6H2,1-3H3,(H,14,15);;/q;+1;-1/t7-;;/m0../s1.
What are the key properties of lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid?
lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid has a molecular weight of 238.21 g/mol, XLogP of -2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid is sourced from PubChem (CID 173049616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).