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

C15H18N2O2 — CID 79807189

IUPAC2-ethyl-2-(quinolin-4-ylamino)butanoic acid
SMILESCCC(CC)(Nc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-3-15(4-2,14(18)19)17-13-9-10-16-12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFNBWADAKGHNFRF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.29
Rot. Bonds5

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

2-ethyl-2-(quinolin-4-ylamino)butanoic acid (PubChem CID 79807189) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethyl-2-(quinolin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(quinolin-4-ylamino)butanoic acid
PubChem CID79807189
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-ethyl-2-(quinolin-4-ylamino)butanoic acid
SMILESCCC(CC)(Nc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-3-15(4-2,14(18)19)17-13-9-10-16-12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFNBWADAKGHNFRF-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
CID 79806959
2-phenyl-2-(quinolin-4-ylamino)propan-1-ol
CID 105058459
N-(2-methyl-1-phenylpropan-2-yl)quinolin-4-amine
CID 70112703
5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid
CID 10360207
N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine
CID 106167935
N-ethylquinolin-4-amine
CID 15306588
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
2-(quinolin-4-ylamino)acetamide
CID 61340443
2-[(4-cyanoquinolin-2-yl)amino]-2-ethylbutanoic acid
CID 79814524
N-pentan-3-ylquinolin-4-amine
CID 61340263
(quinolin-4-ylamino) benzoate
CID 23468711

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(quinolin-4-ylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(quinolin-4-ylamino)butanoic acid (CID 79807189) is 2-ethyl-2-(quinolin-4-ylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(quinolin-4-ylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(quinolin-4-ylamino)butanoic acid is CCC(CC)(Nc1ccnc2ccccc12)C(=O)O.
What is the InChIKey of 2-ethyl-2-(quinolin-4-ylamino)butanoic acid?
The InChIKey is FNBWADAKGHNFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-15(4-2,14(18)19)17-13-9-10-16-12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-2-(quinolin-4-ylamino)butanoic acid?
2-ethyl-2-(quinolin-4-ylamino)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(quinolin-4-ylamino)butanoic acid is sourced from PubChem (CID 79807189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).