[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium

C17H26NO6+ — CID 8002710

IUPAC[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCOC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)c(OC)c1
InChIInChI=1S/C17H25NO6/c1-21-16-8-12(17(20)22-2)5-6-15(16)24-11-13(19)9-18-10-14-4-3-7-23-14/h5-6,8,13-14,18-19H,3-4,7,9-11H2,1-2H3/p+1/t13-,14+/m1/s1
InChIKeyDMMWTSIUZPDQFP-KGLIPLIRSA-O
MW340.40 g/mol
LogP-0.04
Rot. Bonds9

About [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium

[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 8002710) has the molecular formula C17H26NO6+ and a molecular weight of 340.40 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID8002710
Molecular FormulaC17H26NO6+
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCOC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)c(OC)c1
InChIInChI=1S/C17H25NO6/c1-21-16-8-12(17(20)22-2)5-6-15(16)24-11-13(19)9-18-10-14-4-3-7-23-14/h5-6,8,13-14,18-19H,3-4,7,9-11H2,1-2H3/p+1/t13-,14+/m1/s1
InChIKeyDMMWTSIUZPDQFP-KGLIPLIRSA-O
XLogP-0.04
TPSA90.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

methyl 4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylamino]propoxy]-3-methoxybenzoate
CID 8002711
[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7127778
[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7196503
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate
CID 55476652
2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2430826
[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-prop-2-enylazanium
CID 2550581
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
methyl 4-[(2R)-3-(1-adamantylmethylamino)-2-hydroxypropoxy]-3-methoxybenzoate
CID 9450030
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 8002710) is [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium is COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)c(OC)c1.
What is the InChIKey of [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is DMMWTSIUZPDQFP-KGLIPLIRSA-O. The full InChI is InChI=1S/C17H25NO6/c1-21-16-8-12(17(20)22-2)5-6-15(16)24-11-13(19)9-18-10-14-4-3-7-23-14/h5-6,8,13-14,18-19H,3-4,7,9-11H2,1-2H3/p+1/t13-,14+/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 340.40 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 8002710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).