2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid

C15H19N3O2S — CID 106807429

IUPAC2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid
SMILESCCC(N)(CCCSc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O2S/c1-2-15(16,14(19)20)8-5-9-21-13-11-6-3-4-7-12(11)17-10-18-13/h3-4,6-7,10H,2,5,8-9,16H2,1H3,(H,19,20)
InChIKeyLZWLUEYFRCSHFW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.69
Rot. Bonds7

About 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid

2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid (PubChem CID 106807429) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid
PubChem CID106807429
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid
SMILESCCC(N)(CCCSc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O2S/c1-2-15(16,14(19)20)8-5-9-21-13-11-6-3-4-7-12(11)17-10-18-13/h3-4,6-7,10H,2,5,8-9,16H2,1H3,(H,19,20)
InChIKeyLZWLUEYFRCSHFW-UHFFFAOYSA-N
XLogP2.69
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid (CID 106807429) is 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid is CCC(N)(CCCSc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid?
The InChIKey is LZWLUEYFRCSHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-15(16,14(19)20)8-5-9-21-13-11-6-3-4-7-12(11)17-10-18-13/h3-4,6-7,10H,2,5,8-9,16H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid?
2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid has a molecular weight of 305.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid is sourced from PubChem (CID 106807429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).