lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid

C9H17LiN2O4 — CID 174671152

IUPAClithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1NCCC1C(=O)O.[H-].[Li+]
InChIInChI=1S/C9H16N2O4.Li.H/c1-9(2,3)15-8(14)11-6(7(12)13)4-5-10-11;;/h6,10H,4-5H2,1-3H3,(H,12,13);;/q;+1;-1
InChIKeyHPIBKEDZUHJDOC-UHFFFAOYSA-N
MW224.19 g/mol
LogP-2.30
Rot. Bonds1

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

lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid (PubChem CID 174671152) has the molecular formula C9H17LiN2O4 and a molecular weight of 224.19 g/mol. Its IUPAC name is lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
PubChem CID174671152
Molecular FormulaC9H17LiN2O4
Molecular Weight224.19 g/mol
Exact Mass224.13
IUPAC Namelithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1NCCC1C(=O)O.[H-].[Li+]
InChIInChI=1S/C9H16N2O4.Li.H/c1-9(2,3)15-8(14)11-6(7(12)13)4-5-10-11;;/h6,10H,4-5H2,1-3H3,(H,12,13);;/q;+1;-1
InChIKeyHPIBKEDZUHJDOC-UHFFFAOYSA-N
XLogP-2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid
CID 173049616
(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid
CID 67558381
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
CID 146082478
(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazinane-4-carboxylic acid
CID 91664287
(3S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
CID 58501791
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
3-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-3-carboxylic acid
CID 70116830
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid?
The IUPAC name of lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid (CID 174671152) is lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid.
What is the SMILES notation for lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid?
The canonical SMILES for lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1NCCC1C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid?
The InChIKey is HPIBKEDZUHJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4.Li.H/c1-9(2,3)15-8(14)11-6(7(12)13)4-5-10-11;;/h6,10H,4-5H2,1-3H3,(H,12,13);;/q;+1;-1.
What are the key properties of lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid?
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid has a molecular weight of 224.19 g/mol, XLogP of -2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid is sourced from PubChem (CID 174671152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).