lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C9H16LiNO5 — CID 162520562

IUPAClithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(NC(=O)OC(C)(C)C)C(O)C(=O)[O-].[Li+]
InChIInChI=1S/C9H17NO5.Li/c1-5(6(11)7(12)13)10-8(14)15-9(2,3)4;/h5-6,11H,1-4H3,(H,10,14)(H,12,13);/q;+1/p-1
InChIKeyRJRLWWBIWUFXOT-UHFFFAOYSA-M
MW225.17 g/mol
LogP-3.99
Rot. Bonds3

About lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 162520562) has the molecular formula C9H16LiNO5 and a molecular weight of 225.17 g/mol. Its IUPAC name is lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namelithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID162520562
Molecular FormulaC9H16LiNO5
Molecular Weight225.17 g/mol
Exact Mass225.12
IUPAC Namelithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(NC(=O)OC(C)(C)C)C(O)C(=O)[O-].[Li+]
InChIInChI=1S/C9H17NO5.Li/c1-5(6(11)7(12)13)10-8(14)15-9(2,3)4;/h5-6,11H,1-4H3,(H,10,14)(H,12,13);/q;+1/p-1
InChIKeyRJRLWWBIWUFXOT-UHFFFAOYSA-M
XLogP-3.99
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 5-3.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71435357
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
cesium 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87920058
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 89219629
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 6992568
(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 86308273
tert-butyl N-(1-cyano-1-hydroxypropan-2-yl)carbamate
CID 545704

Frequently Asked Questions

What is the IUPAC name of lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 162520562) is lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC(NC(=O)OC(C)(C)C)C(O)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is RJRLWWBIWUFXOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO5.Li/c1-5(6(11)7(12)13)10-8(14)15-9(2,3)4;/h5-6,11H,1-4H3,(H,10,14)(H,12,13);/q;+1/p-1.
What are the key properties of lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 225.17 g/mol, XLogP of -3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 162520562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).