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

C13H13N3O4 — CID 115339299

IUPAC3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1
InChIInChI=1S/C13H13N3O4/c17-11(18)5-4-8-2-1-3-9(6-8)15-12(19)10-7-14-13(20)16-10/h1-3,6-7H,4-5H2,(H,15,19)(H,17,18)(H2,14,16,20)
InChIKeyPFUBXQDMIQRCSP-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.97
Rot. Bonds5

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

3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339299) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339299
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1
InChIInChI=1S/C13H13N3O4/c17-11(18)5-4-8-2-1-3-9(6-8)15-12(19)10-7-14-13(20)16-10/h1-3,6-7H,4-5H2,(H,15,19)(H,17,18)(H2,14,16,20)
InChIKeyPFUBXQDMIQRCSP-UHFFFAOYSA-N
XLogP0.97
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 55167232
3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339246
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid
CID 120538188
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43601896
3-[3-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 115339180
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid (CID 115339299) is 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1.
What is the InChIKey of 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is PFUBXQDMIQRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11(18)5-4-8-2-1-3-9(6-8)15-12(19)10-7-14-13(20)16-10/h1-3,6-7H,4-5H2,(H,15,19)(H,17,18)(H2,14,16,20).
What are the key properties of 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).