(2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid

C14H17N3O2 — CID 44586305

IUPAC(2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid
SMILESN[C@@H](CCCc1cncn1-c1ccccc1)C(=O)O
InChIInChI=1S/C14H17N3O2/c15-13(14(18)19)8-4-7-12-9-16-10-17(12)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8,15H2,(H,18,19)/t13-/m0/s1
InChIKeyHVGGNANEAHMIQV-ZDUSSCGKSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds6

About (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid

(2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid (PubChem CID 44586305) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid
PubChem CID44586305
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid
SMILESN[C@@H](CCCc1cncn1-c1ccccc1)C(=O)O
InChIInChI=1S/C14H17N3O2/c15-13(14(18)19)8-4-7-12-9-16-10-17(12)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8,15H2,(H,18,19)/t13-/m0/s1
InChIKeyHVGGNANEAHMIQV-ZDUSSCGKSA-N
XLogP1.61
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid (CID 44586305) is (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid is N[C@@H](CCCc1cncn1-c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid?
The InChIKey is HVGGNANEAHMIQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-13(14(18)19)8-4-7-12-9-16-10-17(12)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8,15H2,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid?
(2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(3-phenylimidazol-4-yl)pentanoic acid is sourced from PubChem (CID 44586305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).