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

Name: 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂ClN₃O₃ — CID 44658898

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride
PubChem CID	44658898
Molecular Formula	C₁₁H₁₂ClN₃O₃
Molecular Weight	269.69 g/mol
Exact Mass	269.06
IUPAC Name	3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride
SMILES	O=C(O)C(CO)Nc1[nH+]cnc2ccccc12.[Cl-]
InChI	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
InChIKey	MOXWZYFMQXUVMA-UHFFFAOYSA-N
XLogP	-3.09
TPSA	96.59 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.69
LogP ≤ 5	-3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 44658898 — identifiers, structure, computed properties (public domain)

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