(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid

C7H9N3O5 — CID 28790412

IUPAC(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O5/c11-2-4(6(13)14)9-5(12)3-1-8-7(15)10-3/h1,4,11H,2H2,(H,9,12)(H,13,14)(H2,8,10,15)/t4-/m1/s1
InChIKeyGOALEIZIGLBFJY-SCSAIBSYSA-N
MW215.16 g/mol
LogP-2.12
Rot. Bonds4

About (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (PubChem CID 28790412) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
PubChem CID28790412
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O5/c11-2-4(6(13)14)9-5(12)3-1-8-7(15)10-3/h1,4,11H,2H2,(H,9,12)(H,13,14)(H2,8,10,15)/t4-/m1/s1
InChIKeyGOALEIZIGLBFJY-SCSAIBSYSA-N
XLogP-2.12
TPSA135.28 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (CID 28790412) is (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is O=C(N[C@H](CO)C(=O)O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GOALEIZIGLBFJY-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9N3O5/c11-2-4(6(13)14)9-5(12)3-1-8-7(15)10-3/h1,4,11H,2H2,(H,9,12)(H,13,14)(H2,8,10,15)/t4-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid has a molecular weight of 215.16 g/mol, XLogP of -2.12, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28790412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).