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

C19H21LiN2O5 — CID 153367842

IUPAClithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)NC(C(=O)[O-])c1ccc(OCc2ccccc2)cn1.[Li+]
InChIInChI=1S/C19H22N2O5.Li/c1-19(2,3)26-18(24)21-16(17(22)23)15-10-9-14(11-20-15)25-12-13-7-5-4-6-8-13;/h4-11,16H,12H2,1-3H3,(H,21,24)(H,22,23);/q;+1/p-1
InChIKeyZQGNJRZHPNXQOQ-UHFFFAOYSA-M
MW364.33 g/mol
LogP-1.02
Rot. Bonds6

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

lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate (PubChem CID 153367842) has the molecular formula C19H21LiN2O5 and a molecular weight of 364.33 g/mol. Its IUPAC name is lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Namelithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate
PubChem CID153367842
Molecular FormulaC19H21LiN2O5
Molecular Weight364.33 g/mol
Exact Mass364.16
IUPAC Namelithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)NC(C(=O)[O-])c1ccc(OCc2ccccc2)cn1.[Li+]
InChIInChI=1S/C19H22N2O5.Li/c1-19(2,3)26-18(24)21-16(17(22)23)15-10-9-14(11-20-15)25-12-13-7-5-4-6-8-13;/h4-11,16H,12H2,1-3H3,(H,21,24)(H,22,23);/q;+1/p-1
InChIKeyZQGNJRZHPNXQOQ-UHFFFAOYSA-M
XLogP-1.02
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate
CID 153368014
2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 153367928
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 2756774
tert-butyl N-[1-bromo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 19261588
tert-butyl N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 51356831
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
bromomethylbenzene;methyl (2R)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 158810628
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
CID 23572757
(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoic acid
CID 51357665
tert-butyl N-[(1R)-3-oxo-1-(4-phenylmethoxyphenyl)propyl]carbamate
CID 125411765
tert-butyl N-[(2R)-1-(4-phenylmethoxyphenyl)but-3-en-2-yl]carbamate
CID 51357113
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetic acid
CID 153368015

Frequently Asked Questions

What is the IUPAC name of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate?
The IUPAC name of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate (CID 153367842) is lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate.
What is the SMILES notation for lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate?
The canonical SMILES for lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate is CC(C)(C)OC(=O)NC(C(=O)[O-])c1ccc(OCc2ccccc2)cn1.[Li+].
What is the InChIKey of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate?
The InChIKey is ZQGNJRZHPNXQOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22N2O5.Li/c1-19(2,3)26-18(24)21-16(17(22)23)15-10-9-14(11-20-15)25-12-13-7-5-4-6-8-13;/h4-11,16H,12H2,1-3H3,(H,21,24)(H,22,23);/q;+1/p-1.
What are the key properties of lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate?
lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate has a molecular weight of 364.33 g/mol, XLogP of -1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate is sourced from PubChem (CID 153367842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).