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

C11H12ClN3O3 — CID 44658898

IUPAC3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride
SMILESO=C(O)C(CO)Nc1[nH+]cnc2ccccc12.[Cl-]
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
LogP-3.09
Rot. Bonds4

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

3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride (PubChem CID 44658898) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride.

Molecular Properties

Compound Name3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride
PubChem CID44658898
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride
SMILESO=C(O)C(CO)Nc1[nH+]cnc2ccccc12.[Cl-]
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
XLogP-3.09
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 5-3.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
2-quinolin-4-ylpropanoic acid
CID 127018626
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
CID 1424418
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
CID 174733531
2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
CID 43669304

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride?
The IUPAC name of 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride (CID 44658898) is 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride.
What is the SMILES notation for 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride?
The canonical SMILES for 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride is O=C(O)C(CO)Nc1[nH+]cnc2ccccc12.[Cl-].
What is the InChIKey of 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride?
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-3-ium-4-ylamino)propanoic acid chloride?
3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride has a molecular weight of 269.69 g/mol, XLogP of -3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride is sourced from PubChem (CID 44658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).