[3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium

C15H15N4O4+ — CID 176831009

About [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium

[3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium (PubChem CID 176831009) has the molecular formula C15H15N4O4+ and a molecular weight of 315.31 g/mol. Its IUPAC name is [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium.

Molecular Properties

• Compound Name: [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
• PubChem CID: 176831009
• Molecular Formula: C15H15N4O4+
• Molecular Weight: 315.31 g/mol
• Exact Mass: 315.11
• IUPAC Name: [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
• SMILES: C#[N+]c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)c(O)c1
• InChI: InChI=1S/C15H14N4O4/c1-16-9-3-4-11(13(20)6-9)14(21)19-12(15(22)23-2)5-10-7-17-8-18-10/h1,3-4,6-8,12H,5H2,2H3,(H2-,17,18,19,20,21)/p+1/t12-/m1/s1
• InChIKey: UVHIDNBBCNZKHE-GFCCVEGCSA-O
• XLogP: 1.22
• TPSA: 108.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.31
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?

The IUPAC name of [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium (CID 176831009) is [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium.

What is the SMILES notation for [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?

The canonical SMILES for [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium is C#[N+]c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)c(O)c1.

What is the InChIKey of [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?

The InChIKey is UVHIDNBBCNZKHE-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H14N4O4/c1-16-9-3-4-11(13(20)6-9)14(21)19-12(15(22)23-2)5-10-7-17-8-18-10/h1,3-4,6-8,12H,5H2,2H3,(H2-,17,18,19,20,21)/p+1/t12-/m1/s1.

What are the key properties of [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?

[3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium has a molecular weight of 315.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium is sourced from PubChem (CID 176831009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).