2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid

C9H14N2O3 — CID 84733610

IUPAC2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid
SMILESCC(C)Cc1[nH]c(=O)[nH]c1CC(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(2)3-6-7(4-8(12)13)11-9(14)10-6/h5H,3-4H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyNVMNRRQRNYPXAN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.53
Rot. Bonds4

About 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid

2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid (PubChem CID 84733610) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid
PubChem CID84733610
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid
SMILESCC(C)Cc1[nH]c(=O)[nH]c1CC(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(2)3-6-7(4-8(12)13)11-9(14)10-6/h5H,3-4H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyNVMNRRQRNYPXAN-UHFFFAOYSA-N
XLogP0.53
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid (CID 84733610) is 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid is CC(C)Cc1[nH]c(=O)[nH]c1CC(=O)O.
What is the InChIKey of 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid?
The InChIKey is NVMNRRQRNYPXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)3-6-7(4-8(12)13)11-9(14)10-6/h5H,3-4H2,1-2H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid?
2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid has a molecular weight of 198.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid is sourced from PubChem (CID 84733610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).