2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid

C10H16N2O3 — CID 70498915

IUPAC2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid
SMILESC=CCN1C=NCC1(CC(=O)O)C(C)O
InChIInChI=1S/C10H16N2O3/c1-3-4-12-7-11-6-10(12,8(2)13)5-9(14)15/h3,7-8,13H,1,4-6H2,2H3,(H,14,15)
InChIKeyDSTPXCLWRSJDPP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.11
Rot. Bonds5

About 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid

2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid (PubChem CID 70498915) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid
PubChem CID70498915
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid
SMILESC=CCN1C=NCC1(CC(=O)O)C(C)O
InChIInChI=1S/C10H16N2O3/c1-3-4-12-7-11-6-10(12,8(2)13)5-9(14)15/h3,7-8,13H,1,4-6H2,2H3,(H,14,15)
InChIKeyDSTPXCLWRSJDPP-UHFFFAOYSA-N
XLogP0.11
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid (CID 70498915) is 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid is C=CCN1C=NCC1(CC(=O)O)C(C)O.
What is the InChIKey of 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid?
The InChIKey is DSTPXCLWRSJDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-12-7-11-6-10(12,8(2)13)5-9(14)15/h3,7-8,13H,1,4-6H2,2H3,(H,14,15).
What are the key properties of 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid?
2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 70498915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).