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

C14H17N3O2 — CID 79806959

IUPAC2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
SMILESCCC(CC)(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-14(4-2,13(18)19)17-12-10-7-5-6-8-11(10)15-9-16-12/h5-9H,3-4H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyZXAVXNYRQCAMON-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds5

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

2-ethyl-2-(quinazolin-4-ylamino)butanoic acid (PubChem CID 79806959) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
PubChem CID79806959
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
SMILESCCC(CC)(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-14(4-2,13(18)19)17-12-10-7-5-6-8-11(10)15-9-16-12/h5-9H,3-4H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyZXAVXNYRQCAMON-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(quinazolin-4-ylamino)propanoic acid
CID 61261745
2-ethyl-2-(quinolin-4-ylamino)butanoic acid
CID 79807189
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
CID 64555655
N-[1-chloro-2-(chloromethyl)butan-2-yl]quinazolin-4-amine
CID 107867363
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
2-[(4-cyanoquinolin-2-yl)amino]-2-ethylbutanoic acid
CID 79814524
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid (CID 79806959) is 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid is CCC(CC)(Nc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid?
The InChIKey is ZXAVXNYRQCAMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-14(4-2,13(18)19)17-12-10-7-5-6-8-11(10)15-9-16-12/h5-9H,3-4H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid?
2-ethyl-2-(quinazolin-4-ylamino)butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(quinazolin-4-ylamino)butanoic acid is sourced from PubChem (CID 79806959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).