4-methoxy-2-(quinazolin-4-ylamino)butanoic acid

C13H15N3O3 — CID 55075952

IUPAC4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
SMILESCOCCC(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOWHBGKIRNNSUPX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds6

About 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid

4-methoxy-2-(quinazolin-4-ylamino)butanoic acid (PubChem CID 55075952) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
PubChem CID55075952
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
SMILESCOCCC(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOWHBGKIRNNSUPX-UHFFFAOYSA-N
XLogP1.53
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 63618230
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-(1-methoxybutan-2-yl)quinazolin-4-amine
CID 20545321
5-methoxy-2-(thieno[3,2-d]pyrimidin-4-ylamino)pentanoic acid
CID 81078600
4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
CID 83063532
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid (CID 55075952) is 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid is COCCC(Nc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid?
The InChIKey is OWHBGKIRNNSUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid?
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(quinazolin-4-ylamino)butanoic acid is sourced from PubChem (CID 55075952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).