2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid

C19H24FN3O5 — CID 23572978

IUPAC2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(Cn1ccn(Cc2cccc(F)c2)c1=O)C(=O)O)C(=O)O
InChIInChI=1S/C19H24FN3O5/c1-12(2)8-15(17(24)25)21-16(18(26)27)11-23-7-6-22(19(23)28)10-13-4-3-5-14(20)9-13/h3-7,9,12,15-16,21H,8,10-11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZYRFQCNGEHHHCY-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.38
Rot. Bonds10

About 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid

2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid (PubChem CID 23572978) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid
PubChem CID23572978
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(Cn1ccn(Cc2cccc(F)c2)c1=O)C(=O)O)C(=O)O
InChIInChI=1S/C19H24FN3O5/c1-12(2)8-15(17(24)25)21-16(18(26)27)11-23-7-6-22(19(23)28)10-13-4-3-5-14(20)9-13/h3-7,9,12,15-16,21H,8,10-11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZYRFQCNGEHHHCY-UHFFFAOYSA-N
XLogP1.38
TPSA113.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid (CID 23572978) is 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(Cn1ccn(Cc2cccc(F)c2)c1=O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid?
The InChIKey is ZYRFQCNGEHHHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-12(2)8-15(17(24)25)21-16(18(26)27)11-23-7-6-22(19(23)28)10-13-4-3-5-14(20)9-13/h3-7,9,12,15-16,21H,8,10-11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid?
2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid has a molecular weight of 393.42 g/mol, XLogP of 1.38, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-carboxy-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]ethyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23572978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).