2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid

C15H16N2O4 — CID 122047294

IUPAC2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
SMILESCCOC(=O)c1c(NCC(=O)O)nc2ccccc2c1C
InChIInChI=1S/C15H16N2O4/c1-3-21-15(20)13-9(2)10-6-4-5-7-11(10)17-14(13)16-8-12(18)19/h4-7H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVDPAXARFRGKLLM-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.22
Rot. Bonds5

About 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid

2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid (PubChem CID 122047294) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
PubChem CID122047294
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
SMILESCCOC(=O)c1c(NCC(=O)O)nc2ccccc2c1C
InChIInChI=1S/C15H16N2O4/c1-3-21-15(20)13-9(2)10-6-4-5-7-11(10)17-14(13)16-8-12(18)19/h4-7H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVDPAXARFRGKLLM-UHFFFAOYSA-N
XLogP2.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-acetyl-4-tert-butylquinoline-2-carboxylate
CID 70912053
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
ethyl 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8899381
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate
CID 133345218
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
CID 8020793
ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
CID 141107459
ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
CID 9354471
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-methylquinoline-3-carboxylate
CID 9335156

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid (CID 122047294) is 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid is CCOC(=O)c1c(NCC(=O)O)nc2ccccc2c1C.
What is the InChIKey of 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid?
The InChIKey is VDPAXARFRGKLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-21-15(20)13-9(2)10-6-4-5-7-11(10)17-14(13)16-8-12(18)19/h4-7H,3,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid?
2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid is sourced from PubChem (CID 122047294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).