lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate

C7H10LiNO5 — CID 59264533

IUPAClithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate
SMILESCOC(=O)NC(C(=O)[O-])C1COC1.[Li+]
InChIInChI=1S/C7H11NO5.Li/c1-12-7(11)8-5(6(9)10)4-2-13-3-4;/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10);/q;+1/p-1
InChIKeyFFPWOKGITYUQON-UHFFFAOYSA-M
MW195.10 g/mol
LogP-4.89
Rot. Bonds3

About lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate

lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate (PubChem CID 59264533) has the molecular formula C7H10LiNO5 and a molecular weight of 195.10 g/mol. Its IUPAC name is lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate.

Molecular Properties

Compound Namelithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate
PubChem CID59264533
Molecular FormulaC7H10LiNO5
Molecular Weight195.10 g/mol
Exact Mass195.07
IUPAC Namelithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate
SMILESCOC(=O)NC(C(=O)[O-])C1COC1.[Li+]
InChIInChI=1S/C7H11NO5.Li/c1-12-7(11)8-5(6(9)10)4-2-13-3-4;/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10);/q;+1/p-1
InChIKeyFFPWOKGITYUQON-UHFFFAOYSA-M
XLogP-4.89
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 5-4.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
CID 141276819
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 123481327
methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
CID 59470809
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 90196570
S-sulfanyl 2-(methoxycarbonylamino)-2-(oxan-4-yl)ethanethioate
CID 123667070
(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate
CID 86307477
(2S)-2-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 66746681
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate
CID 126547608

Frequently Asked Questions

What is the IUPAC name of lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate?
The IUPAC name of lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate (CID 59264533) is lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate.
What is the SMILES notation for lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate?
The canonical SMILES for lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate is COC(=O)NC(C(=O)[O-])C1COC1.[Li+].
What is the InChIKey of lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate?
The InChIKey is FFPWOKGITYUQON-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO5.Li/c1-12-7(11)8-5(6(9)10)4-2-13-3-4;/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate?
lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate has a molecular weight of 195.10 g/mol, XLogP of -4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate is sourced from PubChem (CID 59264533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).