2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid

C16H18N2O4 — CID 119195419

IUPAC2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1C(=O)CCc2ccccc21)C1CC1
InChIInChI=1S/C16H18N2O4/c19-14-8-5-11-3-1-2-4-13(11)18(14)9-15(20)17(10-16(21)22)12-6-7-12/h1-4,12H,5-10H2,(H,21,22)
InChIKeyZQDLLLHHKGABOS-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.04
Rot. Bonds5

About 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid (PubChem CID 119195419) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
PubChem CID119195419
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1C(=O)CCc2ccccc21)C1CC1
InChIInChI=1S/C16H18N2O4/c19-14-8-5-11-3-1-2-4-13(11)18(14)9-15(20)17(10-16(21)22)12-6-7-12/h1-4,12H,5-10H2,(H,21,22)
InChIKeyZQDLLLHHKGABOS-UHFFFAOYSA-N
XLogP1.04
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(4-Methylphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
CID 168269600
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 133640439
5-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1-isopropylpyrrolidin-2-one
CID 3242452
(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]amino]-4-phenylbutanoic acid;hydrochloride
CID 45264210
1-[3-(4-Butylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 137636308
1-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one
CID 155561628
Oxalic acid;1-[2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 168270182
1-[3-[4-(3-Methylphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
CID 168270566
Oxalic acid;1-[5-(4-phenylpiperazin-1-yl)pentyl]-3,4-dihydroquinolin-2-one
CID 168278359
Oxalic acid;1-[4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one
CID 168292406
1-[3-[4-(2-Methylphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
CID 168295015
2-(2-Oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetic acid
CID 16784221

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid (CID 119195419) is 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CN1C(=O)CCc2ccccc21)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid?
The InChIKey is ZQDLLLHHKGABOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14-8-5-11-3-1-2-4-13(11)18(14)9-15(20)17(10-16(21)22)12-6-7-12/h1-4,12H,5-10H2,(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119195419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).