3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid

C21H28N2O5 — CID 120700581

IUPAC3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)CCN2C(=O)CCc3ccccc32)(C(=O)O)C1(C)C
InChIInChI=1S/C21H28N2O5/c1-4-28-16-13-21(19(26)27,20(16,2)3)22-17(24)11-12-23-15-8-6-5-7-14(15)9-10-18(23)25/h5-8,16H,4,9-13H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyZWDOTDKDGADVPS-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.13
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid

3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 120700581) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
PubChem CID120700581
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)CCN2C(=O)CCc3ccccc32)(C(=O)O)C1(C)C
InChIInChI=1S/C21H28N2O5/c1-4-28-16-13-21(19(26)27,20(16,2)3)22-17(24)11-12-23-15-8-6-5-7-14(15)9-10-18(23)25/h5-8,16H,4,9-13H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyZWDOTDKDGADVPS-UHFFFAOYSA-N
XLogP2.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
3-ethoxy-2,2-dimethyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120699633
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]pentanoic acid
CID 119194377
trans-(1S,3S)-3-ethoxy-2,2-dimethyl-1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 129467918
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119565152
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
3-ethoxy-2,2-dimethyl-1-[(2-naphthalen-2-ylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 120700100
1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699577
1-[3-(5-chlorothiophen-2-yl)propanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700609
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
N-(2-methylpiperidin-3-yl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120575805

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid (CID 120700581) is 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)CCN2C(=O)CCc3ccccc32)(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is ZWDOTDKDGADVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-4-28-16-13-21(19(26)27,20(16,2)3)22-17(24)11-12-23-15-8-6-5-7-14(15)9-10-18(23)25/h5-8,16H,4,9-13H2,1-3H3,(H,22,24)(H,26,27).
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 388.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120700581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).