3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid

C16H20N2O3 — CID 61185424

IUPAC3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H20N2O3/c19-15(20)9-11-17(13-7-8-13)16(21)18-10-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,19,20)
InChIKeyFQRMTNKYNYLURQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds4

About 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid

3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid (PubChem CID 61185424) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
PubChem CID61185424
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H20N2O3/c19-15(20)9-11-17(13-7-8-13)16(21)18-10-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,19,20)
InChIKeyFQRMTNKYNYLURQ-UHFFFAOYSA-N
XLogP2.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
CID 43329794
2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189507
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid (CID 61185424) is 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)N1CCCc2ccccc21)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
The InChIKey is FQRMTNKYNYLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)9-11-17(13-7-8-13)16(21)18-10-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,19,20).
What are the key properties of 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61185424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).