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

C11H11N3O3 — CID 2789318

IUPAC3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
SMILESO=C(O)C(CO)Nc1ncnc2ccccc12
InChIInChI=1S/C11H11N3O3/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)
InChIKeyTXYSJLZWDLBWSA-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.49
Rot. Bonds4

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

3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid (PubChem CID 2789318) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
PubChem CID2789318
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
SMILESO=C(O)C(CO)Nc1ncnc2ccccc12
InChIInChI=1S/C11H11N3O3/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)
InChIKeyTXYSJLZWDLBWSA-UHFFFAOYSA-N
XLogP0.49
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride
CID 44658898
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
CID 1424418
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
2-methylsulfanyl-3-(quinazolin-4-ylamino)butan-1-ol
CID 103683883
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
CID 6926985

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid (CID 2789318) is 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid is O=C(O)C(CO)Nc1ncnc2ccccc12.
What is the InChIKey of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid?
The InChIKey is TXYSJLZWDLBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/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).
What are the key properties of 3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid?
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.49, 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 is sourced from PubChem (CID 2789318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).