Chromophore (Gly-Tyr-Gly)

C15H17N3O5 — CID 49866829

IUPAC2-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
SMILESC[C@H]([C@@H](C1=N/C(=C\C2=CC=C(C=C2)O)/C(=O)N1CC(=O)O)N)O
InChIInChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1
InChIKeyUZCDFHUXSDKGEZ-NGDPAIJVSA-N
MW319.31 g/mol
LogP-2.70
Rot. Bonds5

About Chromophore (Gly-Tyr-Gly)

Chromophore (Gly-Tyr-Gly) (PubChem CID 49866829) has the molecular formula C15H17N3O5 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid.

Molecular Properties

Compound NameChromophore (Gly-Tyr-Gly)
PubChem CID49866829
Molecular FormulaC15H17N3O5
Molecular Weight319.31 g/mol
Exact Mass319.12
IUPAC Name2-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
SMILESC[C@H]([C@@H](C1=N/C(=C\C2=CC=C(C=C2)O)/C(=O)N1CC(=O)O)N)O
InChIInChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1
InChIKeyUZCDFHUXSDKGEZ-NGDPAIJVSA-N
XLogP-2.70
TPSA136.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity537

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Chromophore (Gly-Tyr-Gly)?
The IUPAC name of Chromophore (Gly-Tyr-Gly) (CID 49866829) is 2-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid.
What is the SMILES notation for Chromophore (Gly-Tyr-Gly)?
The canonical SMILES for Chromophore (Gly-Tyr-Gly) is C[C@H]([C@@H](C1=N/C(=C\C2=CC=C(C=C2)O)/C(=O)N1CC(=O)O)N)O.
What is the InChIKey of Chromophore (Gly-Tyr-Gly)?
The InChIKey is UZCDFHUXSDKGEZ-NGDPAIJVSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1.
What are the key properties of Chromophore (Gly-Tyr-Gly)?
Chromophore (Gly-Tyr-Gly) has a molecular weight of 319.31 g/mol, XLogP of -2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Chromophore (Gly-Tyr-Gly) is sourced from PubChem (CID 49866829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).