(3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one

C7H13NO3 — CID 25209449

IUPAC(3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one
SMILESCC[C@H]1OC(=O)[C@@H](N)[C@H]1OC
InChIInChI=1S/C7H13NO3/c1-3-4-6(10-2)5(8)7(9)11-4/h4-6H,3,8H2,1-2H3/t4-,5+,6+/m1/s1
InChIKeyDQHLBTWZXOLKIG-SRQIZXRXSA-N
MW159.18 g/mol
LogP-0.34
Rot. Bonds2

About (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one

(3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one (PubChem CID 25209449) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one
PubChem CID25209449
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one
SMILESCC[C@H]1OC(=O)[C@@H](N)[C@H]1OC
InChIInChI=1S/C7H13NO3/c1-3-4-6(10-2)5(8)7(9)11-4/h4-6H,3,8H2,1-2H3/t4-,5+,6+/m1/s1
InChIKeyDQHLBTWZXOLKIG-SRQIZXRXSA-N
XLogP-0.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one?
The IUPAC name of (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one (CID 25209449) is (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one is CC[C@H]1OC(=O)[C@@H](N)[C@H]1OC.
What is the InChIKey of (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one?
The InChIKey is DQHLBTWZXOLKIG-SRQIZXRXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-6(10-2)5(8)7(9)11-4/h4-6H,3,8H2,1-2H3/t4-,5+,6+/m1/s1.
What are the key properties of (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one?
(3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-amino-5-ethyl-4-methoxyoxolan-2-one is sourced from PubChem (CID 25209449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).