(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one

C9H17NO3 — CID 13107784

IUPAC(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one
SMILESCCN(CC)[C@@H]1CC(=O)O[C@H]1OC
InChIInChI=1S/C9H17NO3/c1-4-10(5-2)7-6-8(11)13-9(7)12-3/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKeyDHWKYFWTCVGDQA-VXNVDRBHSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds4

About (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one

(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one (PubChem CID 13107784) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one
PubChem CID13107784
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one
SMILESCCN(CC)[C@@H]1CC(=O)O[C@H]1OC
InChIInChI=1S/C9H17NO3/c1-4-10(5-2)7-6-8(11)13-9(7)12-3/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKeyDHWKYFWTCVGDQA-VXNVDRBHSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one
CID 13107790
(4R)-4-ethyloxetan-2-one
CID 14325240
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
(4S,5R)-4-amino-5-propoxyoxolan-2-one
CID 70334227
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10241281
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008
methane;5-methoxy-4-methyloxolan-2-one;methyl 4,4-dimethoxy-3-methylbutanoate
CID 161466636
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
(2R,4S,5S,6E,8S)-4,5-dihydroxy-8-methoxy-2-propyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 102227123
(4R)-4-nonoxyoxetan-2-one
CID 175477617
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one?
The IUPAC name of (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one (CID 13107784) is (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one.
What is the SMILES notation for (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one?
The canonical SMILES for (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one is CCN(CC)[C@@H]1CC(=O)O[C@H]1OC.
What is the InChIKey of (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one?
The InChIKey is DHWKYFWTCVGDQA-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-10(5-2)7-6-8(11)13-9(7)12-3/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one?
(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one is sourced from PubChem (CID 13107784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).