methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate

C8H11N3O5 — CID 43407099

IUPACmethyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O5/c1-16-7(14)5(3-12)10-6(13)4-2-9-8(15)11-4/h2,5,12H,3H2,1H3,(H,10,13)(H2,9,11,15)
InChIKeyPFUMMPWGEJGLQR-UHFFFAOYSA-N
MW229.19 g/mol
LogP-2.03
Rot. Bonds4

About methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate (PubChem CID 43407099) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate
PubChem CID43407099
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Namemethyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O5/c1-16-7(14)5(3-12)10-6(13)4-2-9-8(15)11-4/h2,5,12H,3H2,1H3,(H,10,13)(H2,9,11,15)
InChIKeyPFUMMPWGEJGLQR-UHFFFAOYSA-N
XLogP-2.03
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate (CID 43407099) is methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate?
The InChIKey is PFUMMPWGEJGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-16-7(14)5(3-12)10-6(13)4-2-9-8(15)11-4/h2,5,12H,3H2,1H3,(H,10,13)(H2,9,11,15).
What are the key properties of methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate has a molecular weight of 229.19 g/mol, XLogP of -2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 43407099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).