(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol

C11H15NO3 — CID 93383823

IUPAC(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol
SMILESCOc1ccccc1N[C@@H]1COC[C@H]1O
InChIInChI=1S/C11H15NO3/c1-14-11-5-3-2-4-8(11)12-9-6-15-7-10(9)13/h2-5,9-10,12-13H,6-7H2,1H3/t9-,10-/m1/s1
InChIKeyLBXCXPXTFIGTIT-NXEZZACHSA-N
MW209.25 g/mol
LogP0.87
Rot. Bonds3

About (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol

(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol (PubChem CID 93383823) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol
PubChem CID93383823
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol
SMILESCOc1ccccc1N[C@@H]1COC[C@H]1O
InChIInChI=1S/C11H15NO3/c1-14-11-5-3-2-4-8(11)12-9-6-15-7-10(9)13/h2-5,9-10,12-13H,6-7H2,1H3/t9-,10-/m1/s1
InChIKeyLBXCXPXTFIGTIT-NXEZZACHSA-N
XLogP0.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60897536
4-(2-methylanilino)oxolan-3-ol
CID 60901507
(1R,6R)-6-(2-methoxyanilino)cyclohex-3-en-1-ol
CID 11241449
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
4-(naphthalen-1-ylamino)oxolan-3-ol
CID 60898015
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
4-(4-methoxyanilino)oxolan-3-ol
CID 60902076
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
CID 93384487
4-(2-methoxyanilino)cyclohexan-1-one
CID 117027862
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol (CID 93383823) is (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol is COc1ccccc1N[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol?
The InChIKey is LBXCXPXTFIGTIT-NXEZZACHSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-11-5-3-2-4-8(11)12-9-6-15-7-10(9)13/h2-5,9-10,12-13H,6-7H2,1H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol?
(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol has a molecular weight of 209.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-methoxyanilino)oxolan-3-ol is sourced from PubChem (CID 93383823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).