4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid

C11H15N3O4 — CID 162941612

IUPAC4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCC1Cn2ccnc2CO1
InChIInChI=1S/C11H15N3O4/c15-10(1-2-11(16)17)13-5-8-6-14-4-3-12-9(14)7-18-8/h3-4,8H,1-2,5-7H2,(H,13,15)(H,16,17)
InChIKeyDSGZIIKRJBSDOG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.24
Rot. Bonds5

About 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid

4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid (PubChem CID 162941612) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid
PubChem CID162941612
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCC1Cn2ccnc2CO1
InChIInChI=1S/C11H15N3O4/c15-10(1-2-11(16)17)13-5-8-6-14-4-3-12-9(14)7-18-8/h3-4,8H,1-2,5-7H2,(H,13,15)(H,16,17)
InChIKeyDSGZIIKRJBSDOG-UHFFFAOYSA-N
XLogP-0.24
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid (CID 162941612) is 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NCC1Cn2ccnc2CO1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid?
The InChIKey is DSGZIIKRJBSDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(1-2-11(16)17)13-5-8-6-14-4-3-12-9(14)7-18-8/h3-4,8H,1-2,5-7H2,(H,13,15)(H,16,17).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid?
4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-ylmethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 162941612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).