2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid

C15H16N2O3 — CID 107314695

IUPAC2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid
SMILESNC(COc1ccc2cccnc2c1)(C(=O)O)C1CC1
InChIInChI=1S/C15H16N2O3/c16-15(14(18)19,11-4-5-11)9-20-12-6-3-10-2-1-7-17-13(10)8-12/h1-3,6-8,11H,4-5,9,16H2,(H,18,19)
InChIKeyABQQMGNPDQOMDD-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid

2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid (PubChem CID 107314695) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid
PubChem CID107314695
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid
SMILESNC(COc1ccc2cccnc2c1)(C(=O)O)C1CC1
InChIInChI=1S/C15H16N2O3/c16-15(14(18)19,11-4-5-11)9-20-12-6-3-10-2-1-7-17-13(10)8-12/h1-3,6-8,11H,4-5,9,16H2,(H,18,19)
InChIKeyABQQMGNPDQOMDD-UHFFFAOYSA-N
XLogP1.81
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63920220
1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol
CID 107315662
methyl 2-methyl-2-(methylamino)-3-quinolin-7-yloxypropanoate
CID 107314668
2-quinolin-7-yloxyacetohydrazide
CID 107315402
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
1-cyclopentyl-2-quinolin-7-yloxyethanamine
CID 107313426
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline
CID 174932520
ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
CID 107313075
2-quinolin-7-ylacetic acid
CID 18675903
quinolin-7-yl quinoline-7-carboxylate
CID 142797869

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid (CID 107314695) is 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid is NC(COc1ccc2cccnc2c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid?
The InChIKey is ABQQMGNPDQOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-15(14(18)19,11-4-5-11)9-20-12-6-3-10-2-1-7-17-13(10)8-12/h1-3,6-8,11H,4-5,9,16H2,(H,18,19).
What are the key properties of 2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid?
2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.81, 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-quinolin-7-yloxypropanoic acid is sourced from PubChem (CID 107314695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).