5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

C11H19N3O4 — CID 67926607

IUPAC5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESCCC1(N)CN([C@H]2C[C@H](O)[C@@H](C)O2)C(=O)NC1=O
InChIInChI=1S/C11H19N3O4/c1-3-11(12)5-14(10(17)13-9(11)16)8-4-7(15)6(2)18-8/h6-8,15H,3-5,12H2,1-2H3,(H,13,16,17)/t6-,7+,8-,11?/m1/s1
InChIKeyWGZADWIRFKSWMW-CLVIBPGUSA-N
MW257.29 g/mol
LogP-0.86
Rot. Bonds2

About 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 67926607) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
PubChem CID67926607
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESCCC1(N)CN([C@H]2C[C@H](O)[C@@H](C)O2)C(=O)NC1=O
InChIInChI=1S/C11H19N3O4/c1-3-11(12)5-14(10(17)13-9(11)16)8-4-7(15)6(2)18-8/h6-8,15H,3-5,12H2,1-2H3,(H,13,16,17)/t6-,7+,8-,11?/m1/s1
InChIKeyWGZADWIRFKSWMW-CLVIBPGUSA-N
XLogP-0.86
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione (CID 67926607) is 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione is CCC1(N)CN([C@H]2C[C@H](O)[C@@H](C)O2)C(=O)NC1=O.
What is the InChIKey of 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WGZADWIRFKSWMW-CLVIBPGUSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-11(12)5-14(10(17)13-9(11)16)8-4-7(15)6(2)18-8/h6-8,15H,3-5,12H2,1-2H3,(H,13,16,17)/t6-,7+,8-,11?/m1/s1.
What are the key properties of 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 67926607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).