(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one

C17H22ClNO4 — CID 95624551

IUPAC(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one
SMILESCOc1ccc(Cl)cc1C1(CN[C@@H]2CCOC2=O)CCOCC1
InChIInChI=1S/C17H22ClNO4/c1-21-15-3-2-12(18)10-13(15)17(5-8-22-9-6-17)11-19-14-4-7-23-16(14)20/h2-3,10,14,19H,4-9,11H2,1H3/t14-/m1/s1
InChIKeyDQLALPJLDLJYQG-CQSZACIVSA-N
MW339.82 g/mol
LogP2.30
Rot. Bonds5

About (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one

(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one (PubChem CID 95624551) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one
PubChem CID95624551
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one
SMILESCOc1ccc(Cl)cc1C1(CN[C@@H]2CCOC2=O)CCOCC1
InChIInChI=1S/C17H22ClNO4/c1-21-15-3-2-12(18)10-13(15)17(5-8-22-9-6-17)11-19-14-4-7-23-16(14)20/h2-3,10,14,19H,4-9,11H2,1H3/t14-/m1/s1
InChIKeyDQLALPJLDLJYQG-CQSZACIVSA-N
XLogP2.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one with MolForge

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Related Compounds

3-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]oxolan-2-one
CID 56805422
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-cyclopropylpyrimidin-4-amine
CID 133298913
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789809
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
cis-(1S,2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687337
trans-(1R,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687322
cis-(1S,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687340
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006264
3-chloro-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 52756763
1-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962707

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one?
The IUPAC name of (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one (CID 95624551) is (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one.
What is the SMILES notation for (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one?
The canonical SMILES for (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one is COc1ccc(Cl)cc1C1(CN[C@@H]2CCOC2=O)CCOCC1.
What is the InChIKey of (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one?
The InChIKey is DQLALPJLDLJYQG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClNO4/c1-21-15-3-2-12(18)10-13(15)17(5-8-22-9-6-17)11-19-14-4-7-23-16(14)20/h2-3,10,14,19H,4-9,11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one?
(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one has a molecular weight of 339.82 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one is sourced from PubChem (CID 95624551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).