2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid

C16H18N2O3 — CID 63921545

IUPAC2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid
SMILESCNC(COc1cccc2cccnc12)(C(=O)O)C1CC1
InChIInChI=1S/C16H18N2O3/c1-17-16(15(19)20,12-7-8-12)10-21-13-6-2-4-11-5-3-9-18-14(11)13/h2-6,9,12,17H,7-8,10H2,1H3,(H,19,20)
InChIKeyLCKHXMMETUTJTD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.07
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid

2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid (PubChem CID 63921545) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid
PubChem CID63921545
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid
SMILESCNC(COc1cccc2cccnc12)(C(=O)O)C1CC1
InChIInChI=1S/C16H18N2O3/c1-17-16(15(19)20,12-7-8-12)10-21-13-6-2-4-11-5-3-9-18-14(11)13/h2-6,9,12,17H,7-8,10H2,1H3,(H,19,20)
InChIKeyLCKHXMMETUTJTD-UHFFFAOYSA-N
XLogP2.07
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
CID 79622266
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
CID 63919233
2-quinolin-8-yloxyacetate
CID 6950984
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid (CID 63921545) is 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid is CNC(COc1cccc2cccnc12)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid?
The InChIKey is LCKHXMMETUTJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-16(15(19)20,12-7-8-12)10-21-13-6-2-4-11-5-3-9-18-14(11)13/h2-6,9,12,17H,7-8,10H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid?
2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid is sourced from PubChem (CID 63921545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).