4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid

C11H17N3O4 — CID 54926608

IUPAC4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-7(2)14(5-3-4-9(15)16)10(17)8-6-12-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,18)
InChIKeyATVMOCIXOIAQNT-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.42
Rot. Bonds6

About 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid

4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 54926608) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID54926608
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-7(2)14(5-3-4-9(15)16)10(17)8-6-12-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,18)
InChIKeyATVMOCIXOIAQNT-UHFFFAOYSA-N
XLogP0.42
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid (CID 54926608) is 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is ATVMOCIXOIAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)14(5-3-4-9(15)16)10(17)8-6-12-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,18).
What are the key properties of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 54926608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).