2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid

C16H20N2O3 — CID 60834511

IUPAC2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H20N2O3/c19-15(10-17(11-16(20)21)13-7-8-13)18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,20,21)
InChIKeyFFNVBBNNQQETQM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.51
Rot. Bonds5

About 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid

2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 60834511) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
PubChem CID60834511
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H20N2O3/c19-15(10-17(11-16(20)21)13-7-8-13)18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,20,21)
InChIKeyFFNVBBNNQQETQM-UHFFFAOYSA-N
XLogP1.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 61185424
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
CID 55437399
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189507
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 8770055
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid (CID 60834511) is 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid is O=C(O)CN(CC(=O)N1CCCc2ccccc21)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is FFNVBBNNQQETQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(10-17(11-16(20)21)13-7-8-13)18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid?
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60834511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).