lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate

C10H16LiNO5 — CID 155858694

IUPAClithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate
SMILESCC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)[O-])O1.[Li+]
InChIInChI=1S/C10H17NO5.Li/c1-10(2,3)16-9(14)11-5-6-4-7(15-6)8(12)13;/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);/q;+1/p-1/t6-,7+;/m0./s1
InChIKeyFNJDLVLZQUOISN-UOERWJHTSA-M
MW237.18 g/mol
LogP-3.58
Rot. Bonds3

About lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate

lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate (PubChem CID 155858694) has the molecular formula C10H16LiNO5 and a molecular weight of 237.18 g/mol. Its IUPAC name is lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate.

Molecular Properties

Compound Namelithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate
PubChem CID155858694
Molecular FormulaC10H16LiNO5
Molecular Weight237.18 g/mol
Exact Mass237.12
IUPAC Namelithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate
SMILESCC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)[O-])O1.[Li+]
InChIInChI=1S/C10H17NO5.Li/c1-10(2,3)16-9(14)11-5-6-4-7(15-6)8(12)13;/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);/q;+1/p-1/t6-,7+;/m0./s1
InChIKeyFNJDLVLZQUOISN-UOERWJHTSA-M
XLogP-3.58
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 167111332
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(2S,4S)-4-propanoyloxolan-2-yl]methyl]carbamate
CID 165468135
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
CID 130681607
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538

Frequently Asked Questions

What is the IUPAC name of lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate?
The IUPAC name of lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate (CID 155858694) is lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate.
What is the SMILES notation for lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate?
The canonical SMILES for lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate is CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)[O-])O1.[Li+].
What is the InChIKey of lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate?
The InChIKey is FNJDLVLZQUOISN-UOERWJHTSA-M. The full InChI is InChI=1S/C10H17NO5.Li/c1-10(2,3)16-9(14)11-5-6-4-7(15-6)8(12)13;/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);/q;+1/p-1/t6-,7+;/m0./s1.
What are the key properties of lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate?
lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate has a molecular weight of 237.18 g/mol, XLogP of -3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate is sourced from PubChem (CID 155858694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).