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

C17H22N2O4 — CID 119212127

IUPAC3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-3-11(2)16(17(22)23)18-14(20)10-19-13-7-5-4-6-12(13)8-9-15(19)21/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyFCCKEUYRLNYXPB-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.58
Rot. Bonds6

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

3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 119212127) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
PubChem CID119212127
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-3-11(2)16(17(22)23)18-14(20)10-19-13-7-5-4-6-12(13)8-9-15(19)21/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyFCCKEUYRLNYXPB-UHFFFAOYSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]pentanoic acid
CID 119194377
(E)-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]hex-4-enoic acid
CID 120694245
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
CID 61172549
1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
CID 110748751
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
CID 43446594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid (CID 119212127) is 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid is CCC(C)C(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is FCCKEUYRLNYXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-11(2)16(17(22)23)18-14(20)10-19-13-7-5-4-6-12(13)8-9-15(19)21/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119212127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).