methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate

C24H36N2O5 — CID 158515967

IUPACmethyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate
SMILESCOC(=O)C(CCOC1CC(CCc2ccc3c(n2)CCCC3)C1)NC(=O)OC(C)C
InChIInChI=1S/C24H36N2O5/c1-16(2)31-24(28)26-22(23(27)29-3)12-13-30-20-14-17(15-20)8-10-19-11-9-18-6-4-5-7-21(18)25-19/h9,11,16-17,20,22H,4-8,10,12-15H2,1-3H3,(H,26,28)
InChIKeyLLTNNUMDDHRKDE-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.75
Rot. Bonds10

About methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate

methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate (PubChem CID 158515967) has the molecular formula C24H36N2O5 and a molecular weight of 432.56 g/mol. Its IUPAC name is methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate.

Molecular Properties

Compound Namemethyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate
PubChem CID158515967
Molecular FormulaC24H36N2O5
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC Namemethyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate
SMILESCOC(=O)C(CCOC1CC(CCc2ccc3c(n2)CCCC3)C1)NC(=O)OC(C)C
InChIInChI=1S/C24H36N2O5/c1-16(2)31-24(28)26-22(23(27)29-3)12-13-30-20-14-17(15-20)8-10-19-11-9-18-6-4-5-7-21(18)25-19/h9,11,16-17,20,22H,4-8,10,12-15H2,1-3H3,(H,26,28)
InChIKeyLLTNNUMDDHRKDE-UHFFFAOYSA-N
XLogP3.75
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate with MolForge

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Related Compounds

2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 158766073
tris(2-acetamido-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid);bis(azetidine);cyclopentane;ethane;bis(2-(methoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid);piperidine;pyrrolidine
CID 160812276
(2S)-2-[[(2S)-2-phenylpropanoyl]amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 161011469
deuterioethane;N,N-diethylcarbamoyl chloride;methyl 2-amino-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate;methyl 2-(diethylcarbamoylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate
CID 162026796
2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 158031009
(2S)-2-ethyl-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 162048347
2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 157349113
2-[(3-fluorobenzoyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 160779568
2-[[2-(3,5-dimethylpyrazol-1-yl)cyclohexyl]oxycarbonylamino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146789861
(2S)-2-[(3-chloro-5-fluoropyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 160527634
(2S)-2-[(3-bromo-5-chloro-2-fluoropyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 161224831
(2S)-2-(3-methylbutanoylamino)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 153153214

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate?
The IUPAC name of methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate (CID 158515967) is methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate.
What is the SMILES notation for methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate?
The canonical SMILES for methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate is COC(=O)C(CCOC1CC(CCc2ccc3c(n2)CCCC3)C1)NC(=O)OC(C)C.
What is the InChIKey of methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate?
The InChIKey is LLTNNUMDDHRKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5/c1-16(2)31-24(28)26-22(23(27)29-3)12-13-30-20-14-17(15-20)8-10-19-11-9-18-6-4-5-7-21(18)25-19/h9,11,16-17,20,22H,4-8,10,12-15H2,1-3H3,(H,26,28).
What are the key properties of methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate?
methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate has a molecular weight of 432.56 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-yloxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoate is sourced from PubChem (CID 158515967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).