2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid

C9H14FN3O2 — CID 57319878

IUPAC2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid
SMILESCCc1cnc(CC(N)(CF)C(=O)O)[nH]1
InChIInChI=1S/C9H14FN3O2/c1-2-6-4-12-7(13-6)3-9(11,5-10)8(14)15/h4H,2-3,5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUYWNXTRDXIJOAC-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.27
Rot. Bonds5

About 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid

2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid (PubChem CID 57319878) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid
PubChem CID57319878
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid
SMILESCCc1cnc(CC(N)(CF)C(=O)O)[nH]1
InChIInChI=1S/C9H14FN3O2/c1-2-6-4-12-7(13-6)3-9(11,5-10)8(14)15/h4H,2-3,5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUYWNXTRDXIJOAC-UHFFFAOYSA-N
XLogP0.27
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid?
The IUPAC name of 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid (CID 57319878) is 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid.
What is the SMILES notation for 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid?
The canonical SMILES for 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid is CCc1cnc(CC(N)(CF)C(=O)O)[nH]1.
What is the InChIKey of 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid?
The InChIKey is UYWNXTRDXIJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-2-6-4-12-7(13-6)3-9(11,5-10)8(14)15/h4H,2-3,5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid?
2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(5-ethyl-1H-imidazol-2-yl)methyl]-3-fluoropropanoic acid is sourced from PubChem (CID 57319878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).