3-(quinazolin-4-ylamino)propanoic acid

C11H11N3O2 — CID 718839

IUPAC3-(quinazolin-4-ylamino)propanoic acid
SMILESO=C(O)CCNc1ncnc2ccccc12
InChIInChI=1S/C11H11N3O2/c15-10(16)5-6-12-11-8-3-1-2-4-9(8)13-7-14-11/h1-4,7H,5-6H2,(H,15,16)(H,12,13,14)
InChIKeyPQPGVNNBHZWUBV-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.52
Rot. Bonds4

About 3-(quinazolin-4-ylamino)propanoic acid

3-(quinazolin-4-ylamino)propanoic acid (PubChem CID 718839) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(quinazolin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(quinazolin-4-ylamino)propanoic acid
PubChem CID718839
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(quinazolin-4-ylamino)propanoic acid
SMILESO=C(O)CCNc1ncnc2ccccc12
InChIInChI=1S/C11H11N3O2/c15-10(16)5-6-12-11-8-3-1-2-4-9(8)13-7-14-11/h1-4,7H,5-6H2,(H,15,16)(H,12,13,14)
InChIKeyPQPGVNNBHZWUBV-UHFFFAOYSA-N
XLogP1.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(quinazolin-4-ylamino)propanoic acid?
The IUPAC name of 3-(quinazolin-4-ylamino)propanoic acid (CID 718839) is 3-(quinazolin-4-ylamino)propanoic acid.
What is the SMILES notation for 3-(quinazolin-4-ylamino)propanoic acid?
The canonical SMILES for 3-(quinazolin-4-ylamino)propanoic acid is O=C(O)CCNc1ncnc2ccccc12.
What is the InChIKey of 3-(quinazolin-4-ylamino)propanoic acid?
The InChIKey is PQPGVNNBHZWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10(16)5-6-12-11-8-3-1-2-4-9(8)13-7-14-11/h1-4,7H,5-6H2,(H,15,16)(H,12,13,14).
What are the key properties of 3-(quinazolin-4-ylamino)propanoic acid?
3-(quinazolin-4-ylamino)propanoic acid has a molecular weight of 217.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinazolin-4-ylamino)propanoic acid is sourced from PubChem (CID 718839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).