[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid

C18H24N2O5 — CID 166693762

IUPAC[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid
SMILESCOC[C@@]1(COCc2ccc(NC(=O)O)cc2)C(=O)C2CCN1CC2
InChIInChI=1S/C18H24N2O5/c1-24-11-18(16(21)14-6-8-20(18)9-7-14)12-25-10-13-2-4-15(5-3-13)19-17(22)23/h2-5,14,19H,6-12H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyKMNVARRQDWHWFF-GOSISDBHSA-N
MW348.40 g/mol
LogP1.97
Rot. Bonds7

About [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid

[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid (PubChem CID 166693762) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid
PubChem CID166693762
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid
SMILESCOC[C@@]1(COCc2ccc(NC(=O)O)cc2)C(=O)C2CCN1CC2
InChIInChI=1S/C18H24N2O5/c1-24-11-18(16(21)14-6-8-20(18)9-7-14)12-25-10-13-2-4-15(5-3-13)19-17(22)23/h2-5,14,19H,6-12H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyKMNVARRQDWHWFF-GOSISDBHSA-N
XLogP1.97
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid with MolForge

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Related Compounds

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CID 57137239
(2S)-3-[[4-(diethylamino)phenyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 57283352
(2S)-3-[[4-(dimethylamino)phenyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 69829104
Methyl-[2-[methyl-[2-methyl-1-[[4-(3-methylhexan-3-ylamino)phenyl]methoxy]-1-oxobutan-2-yl]amino]ethyl]carbamic acid
CID 130458463
[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl N-[4-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamate
CID 165145303
[4-[[2-(3-Methylbutanoylamino)acetyl]amino]phenyl]methyl morpholine-4-carboxylate
CID 170211579
[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl N-[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamate
CID 175799342
1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide
CID 110743304
Tert-butyl 2-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]morpholine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid?
The IUPAC name of [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid (CID 166693762) is [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid?
The canonical SMILES for [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid is COC[C@@]1(COCc2ccc(NC(=O)O)cc2)C(=O)C2CCN1CC2.
What is the InChIKey of [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid?
The InChIKey is KMNVARRQDWHWFF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-11-18(16(21)14-6-8-20(18)9-7-14)12-25-10-13-2-4-15(5-3-13)19-17(22)23/h2-5,14,19H,6-12H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid?
[4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid has a molecular weight of 348.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]phenyl]carbamic acid is sourced from PubChem (CID 166693762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).