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

C7H9N3O5 — CID 28790414

IUPAC(2S)-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-/m0/s1
InChIKeyGOALEIZIGLBFJY-BYPYZUCNSA-N
MW215.16 g/mol
LogP-2.12
Rot. Bonds4

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

(2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (PubChem CID 28790414) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
PubChem CID28790414
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name(2S)-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-/m0/s1
InChIKeyGOALEIZIGLBFJY-BYPYZUCNSA-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

Analyze (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 24689876
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 28170063
(2S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 28170065
(2S,3R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789139
(2R)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28789624
(2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28789626
(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28790412
3-Hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43171664
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171667
3-Hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43211009
2-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43211074
3-Hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43211180

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (CID 28790414) is (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-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 (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GOALEIZIGLBFJY-BYPYZUCNSA-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-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
(2S)-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 (2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28790414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).