2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid

C18H22N2O4 — CID 119218020

IUPAC2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCC2Cc3ccccc3NC2=O)CCC1
InChIInChI=1S/C18H22N2O4/c21-15(20-18(8-3-9-18)11-16(22)23)7-6-13-10-12-4-1-2-5-14(12)19-17(13)24/h1-2,4-5,13H,3,6-11H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyKIDCJNKOAQNWHM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.09
Rot. Bonds6

About 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid

2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid (PubChem CID 119218020) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid
PubChem CID119218020
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCC2Cc3ccccc3NC2=O)CCC1
InChIInChI=1S/C18H22N2O4/c21-15(20-18(8-3-9-18)11-16(22)23)7-6-13-10-12-4-1-2-5-14(12)19-17(13)24/h1-2,4-5,13H,3,6-11H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyKIDCJNKOAQNWHM-UHFFFAOYSA-N
XLogP2.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid (CID 119218020) is 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CCC2Cc3ccccc3NC2=O)CCC1.
What is the InChIKey of 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid?
The InChIKey is KIDCJNKOAQNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-15(20-18(8-3-9-18)11-16(22)23)7-6-13-10-12-4-1-2-5-14(12)19-17(13)24/h1-2,4-5,13H,3,6-11H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid?
2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid has a molecular weight of 330.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).