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

C17H22N2O4 — CID 119199666

IUPAC2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
SMILESCCC(C)(NC(=O)CCC1Cc2ccccc2NC1=O)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-3-17(2,16(22)23)19-14(20)9-8-12-10-11-6-4-5-7-13(11)18-15(12)21/h4-7,12H,3,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyQERRYWWYNWMPDN-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.95
Rot. Bonds6

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

2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid (PubChem CID 119199666) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
PubChem CID119199666
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
SMILESCCC(C)(NC(=O)CCC1Cc2ccccc2NC1=O)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-3-17(2,16(22)23)19-14(20)9-8-12-10-11-6-4-5-7-13(11)18-15(12)21/h4-7,12H,3,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyQERRYWWYNWMPDN-UHFFFAOYSA-N
XLogP1.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid (CID 119199666) is 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid is CCC(C)(NC(=O)CCC1Cc2ccccc2NC1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid?
The InChIKey is QERRYWWYNWMPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-17(2,16(22)23)19-14(20)9-8-12-10-11-6-4-5-7-13(11)18-15(12)21/h4-7,12H,3,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid?
2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 119199666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).