methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate

C16H22N2O3 — CID 106901292

IUPACmethyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c1-18(9-5-8-15(19)21-2)16(20)13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,13,17H,5,8-11H2,1-2H3
InChIKeyHSJRCVFHHGTQAI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.68
Rot. Bonds5

About methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate

methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate (PubChem CID 106901292) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
PubChem CID106901292
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c1-18(9-5-8-15(19)21-2)16(20)13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,13,17H,5,8-11H2,1-2H3
InChIKeyHSJRCVFHHGTQAI-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
CID 106703120
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901490
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 82739395
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901307
methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
CID 134033372
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-cyclopropyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901286

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate (CID 106901292) is methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)C1CNc2ccccc2C1.
What is the InChIKey of methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate?
The InChIKey is HSJRCVFHHGTQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(9-5-8-15(19)21-2)16(20)13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,13,17H,5,8-11H2,1-2H3.
What are the key properties of methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate?
methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate has a molecular weight of 290.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate is sourced from PubChem (CID 106901292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).