2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid

C12H16N2O3 — CID 80582719

IUPAC2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2ccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H16N2O3/c15-10(16)7-12(3-4-12)8-13-5-6-14(11(13)17)9-1-2-9/h5-6,9H,1-4,7-8H2,(H,15,16)
InChIKeyPRMPLPNLVIBHEA-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 80582719) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID80582719
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2ccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H16N2O3/c15-10(16)7-12(3-4-12)8-13-5-6-14(11(13)17)9-1-2-9/h5-6,9H,1-4,7-8H2,(H,15,16)
InChIKeyPRMPLPNLVIBHEA-UHFFFAOYSA-N
XLogP1.24
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid (CID 80582719) is 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cn2ccn(C3CC3)c2=O)CC1.
What is the InChIKey of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is PRMPLPNLVIBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-10(16)7-12(3-4-12)8-13-5-6-14(11(13)17)9-1-2-9/h5-6,9H,1-4,7-8H2,(H,15,16).
What are the key properties of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 80582719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).