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

C7H9N3O4 — CID 28789495

IUPAC3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c11-5(12)1-2-8-6(13)4-3-9-7(14)10-4/h3H,1-2H2,(H,8,13)(H,11,12)(H2,9,10,14)
InChIKeyMBASZEMVDMOFLY-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.09
Rot. Bonds4

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

3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (PubChem CID 28789495) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
PubChem CID28789495
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c11-5(12)1-2-8-6(13)4-3-9-7(14)10-4/h3H,1-2H2,(H,8,13)(H,11,12)(H2,9,10,14)
InChIKeyMBASZEMVDMOFLY-UHFFFAOYSA-N
XLogP-1.09
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanoic acid
CID 1272738
sodium 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 126478533
3-(4-Methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 19910903
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43361027
Ethyl 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate
CID 61808940
3-[2-(Ethenylamino)prop-2-enoylamino]propanoic acid
CID 161955294
2-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 28789452
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789533
(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
2-[Methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 28790008
2-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43211074

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (CID 28789495) is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The InChIKey is MBASZEMVDMOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c11-5(12)1-2-8-6(13)4-3-9-7(14)10-4/h3H,1-2H2,(H,8,13)(H,11,12)(H2,9,10,14).
What are the key properties of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28789495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).