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

C17H19N3O5 — CID 119213630

IUPAC2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
SMILESO=C1CN(C(=O)CCC(=O)NC(C(=O)O)C2CC2)c2ccccc2N1
InChIInChI=1S/C17H19N3O5/c21-13(19-16(17(24)25)10-5-6-10)7-8-15(23)20-9-14(22)18-11-3-1-2-4-12(11)20/h1-4,10,16H,5-9H2,(H,18,22)(H,19,21)(H,24,25)
InChIKeyPKOWAQXHJOFDIT-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.73
Rot. Bonds6

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

2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid (PubChem CID 119213630) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
PubChem CID119213630
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
SMILESO=C1CN(C(=O)CCC(=O)NC(C(=O)O)C2CC2)c2ccccc2N1
InChIInChI=1S/C17H19N3O5/c21-13(19-16(17(24)25)10-5-6-10)7-8-15(23)20-9-14(22)18-11-3-1-2-4-12(11)20/h1-4,10,16H,5-9H2,(H,18,22)(H,19,21)(H,24,25)
InChIKeyPKOWAQXHJOFDIT-UHFFFAOYSA-N
XLogP0.73
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-methoxy-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]butanoic acid
CID 120702228
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 55579713
N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 51175249
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
N-[2-(cycloheptylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119620738
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616
N-[(1R,2R)-2-tert-butylcyclohexyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 39635856
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid (CID 119213630) is 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid is O=C1CN(C(=O)CCC(=O)NC(C(=O)O)C2CC2)c2ccccc2N1.
What is the InChIKey of 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid?
The InChIKey is PKOWAQXHJOFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-13(19-16(17(24)25)10-5-6-10)7-8-15(23)20-9-14(22)18-11-3-1-2-4-12(11)20/h1-4,10,16H,5-9H2,(H,18,22)(H,19,21)(H,24,25).
What are the key properties of 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid?
2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid is sourced from PubChem (CID 119213630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).