lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate

C13H17LiN2O4 — CID 153368014

IUPAClithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate
SMILESCc1ccc(C(NC(=O)OC(C)(C)C)C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C13H18N2O4.Li/c1-8-5-6-9(14-7-8)10(11(16)17)15-12(18)19-13(2,3)4;/h5-7,10H,1-4H3,(H,15,18)(H,16,17);/q;+1/p-1
InChIKeyHIRBRLCEMPYKIF-UHFFFAOYSA-M
MW272.23 g/mol
LogP-2.29
Rot. Bonds3

About lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate

lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate (PubChem CID 153368014) has the molecular formula C13H17LiN2O4 and a molecular weight of 272.23 g/mol. Its IUPAC name is lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namelithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate
PubChem CID153368014
Molecular FormulaC13H17LiN2O4
Molecular Weight272.23 g/mol
Exact Mass272.13
IUPAC Namelithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate
SMILESCc1ccc(C(NC(=O)OC(C)(C)C)C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C13H18N2O4.Li/c1-8-5-6-9(14-7-8)10(11(16)17)15-12(18)19-13(2,3)4;/h5-7,10H,1-4H3,(H,15,18)(H,16,17);/q;+1/p-1
InChIKeyHIRBRLCEMPYKIF-UHFFFAOYSA-M
XLogP-2.29
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetic acid
CID 153368015
lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate
CID 153367842
2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 153367928
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
tert-butyl N-[[(2S)-2-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamate
CID 100651422
potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 178172421
(4-methylphenyl)sulfonyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138114183
tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10193920
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
ethyl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23034145
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 166179112

Frequently Asked Questions

What is the IUPAC name of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate?
The IUPAC name of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate (CID 153368014) is lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate.
What is the SMILES notation for lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate?
The canonical SMILES for lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate is Cc1ccc(C(NC(=O)OC(C)(C)C)C(=O)[O-])nc1.[Li+].
What is the InChIKey of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate?
The InChIKey is HIRBRLCEMPYKIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N2O4.Li/c1-8-5-6-9(14-7-8)10(11(16)17)15-12(18)19-13(2,3)4;/h5-7,10H,1-4H3,(H,15,18)(H,16,17);/q;+1/p-1.
What are the key properties of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate?
lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate has a molecular weight of 272.23 g/mol, XLogP of -2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 153368014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).