2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid

C16H18N2O3 — CID 63919233

IUPAC2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccc2cccc(OCC(N)(C(=O)O)C3CC3)c2n1
InChIInChI=1S/C16H18N2O3/c1-10-5-6-11-3-2-4-13(14(11)18-10)21-9-16(17,15(19)20)12-7-8-12/h2-6,12H,7-9,17H2,1H3,(H,19,20)
InChIKeyYOKCVYKIHOVBTQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid

2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid (PubChem CID 63919233) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
PubChem CID63919233
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccc2cccc(OCC(N)(C(=O)O)C3CC3)c2n1
InChIInChI=1S/C16H18N2O3/c1-10-5-6-11-3-2-4-13(14(11)18-10)21-9-16(17,15(19)20)12-7-8-12/h2-6,12H,7-9,17H2,1H3,(H,19,20)
InChIKeyYOKCVYKIHOVBTQ-UHFFFAOYSA-N
XLogP2.11
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-methylquinolin-8-yl)oxyacetamide
CID 40512032
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183
2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid
CID 63921545
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216
[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate
CID 140564050
5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 74242121
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid (CID 63919233) is 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid is Cc1ccc2cccc(OCC(N)(C(=O)O)C3CC3)c2n1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid?
The InChIKey is YOKCVYKIHOVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-5-6-11-3-2-4-13(14(11)18-10)21-9-16(17,15(19)20)12-7-8-12/h2-6,12H,7-9,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid?
2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid is sourced from PubChem (CID 63919233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).