(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one

C14H15ClN2O4 — CID 134699286

IUPAC(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CC(O)C2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C14H15ClN2O4/c15-10-4-2-1-3-9(10)12-13(21-7-11(19)16-12)14(20)17-5-8(18)6-17/h1-4,8,12-13,18H,5-7H2,(H,16,19)/t12-,13+/m1/s1
InChIKeyRASDFVDUUHAKHN-OLZOCXBDSA-N
MW310.74 g/mol
LogP0.10
Rot. Bonds2

About (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one

(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one (PubChem CID 134699286) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
PubChem CID134699286
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CC(O)C2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C14H15ClN2O4/c15-10-4-2-1-3-9(10)12-13(21-7-11(19)16-12)14(20)17-5-8(18)6-17/h1-4,8,12-13,18H,5-7H2,(H,16,19)/t12-,13+/m1/s1
InChIKeyRASDFVDUUHAKHN-OLZOCXBDSA-N
XLogP0.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-5-(2-chlorophenyl)-6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-3-one
CID 134711176
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134699289
(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134712566
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550
(5R,6S)-5-(2-chlorophenyl)-6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170508325
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
CID 154913644
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
CID 134712547
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134696941

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one (CID 134699286) is (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one is O=C1CO[C@H](C(=O)N2CC(O)C2)[C@@H](c2ccccc2Cl)N1.
What is the InChIKey of (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one?
The InChIKey is RASDFVDUUHAKHN-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-10-4-2-1-3-9(10)12-13(21-7-11(19)16-12)14(20)17-5-8(18)6-17/h1-4,8,12-13,18H,5-7H2,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one?
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one has a molecular weight of 310.74 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 134699286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).