3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride

C11H12ClN3O3 — CID 2789317

IUPAC3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)C(CO)Nc1ncnc2ccccc12
InChIInChI=1S/C11H11N3O3.ClH/c15-5-9(11(16)17)14-10-7-3-1-2-4-8(7)12-6-13-10;/h1-4,6,9,15H,5H2,(H,16,17)(H,12,13,14);1H
InChIKeyMOXWZYFMQXUVMA-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.91
Rot. Bonds4

About 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride

3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride (PubChem CID 2789317) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride
PubChem CID2789317
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)C(CO)Nc1ncnc2ccccc12
InChIInChI=1S/C11H11N3O3.ClH/c15-5-9(11(16)17)14-10-7-3-1-2-4-8(7)12-6-13-10;/h1-4,6,9,15H,5H2,(H,16,17)(H,12,13,14);1H
InChIKeyMOXWZYFMQXUVMA-UHFFFAOYSA-N
XLogP0.91
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride?
The IUPAC name of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride (CID 2789317) is 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride is Cl.O=C(O)C(CO)Nc1ncnc2ccccc12.
What is the InChIKey of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride?
The InChIKey is MOXWZYFMQXUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3.ClH/c15-5-9(11(16)17)14-10-7-3-1-2-4-8(7)12-6-13-10;/h1-4,6,9,15H,5H2,(H,16,17)(H,12,13,14);1H.
What are the key properties of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride?
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 2789317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).