methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate

C14H17N3O4 — CID 60860320

IUPACmethyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
SMILESCOC(=O)CCCC(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H17N3O4/c1-21-12(18)4-2-3-9(15)8-5-6-10-11(7-8)17-14(20)13(19)16-10/h5-7,9H,2-4,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyPGYOQUJJYOMOQI-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.56
Rot. Bonds5

About methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate

methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate (PubChem CID 60860320) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
PubChem CID60860320
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
SMILESCOC(=O)CCCC(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H17N3O4/c1-21-12(18)4-2-3-9(15)8-5-6-10-11(7-8)17-14(20)13(19)16-10/h5-7,9H,2-4,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyPGYOQUJJYOMOQI-UHFFFAOYSA-N
XLogP0.56
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate with MolForge

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Related Compounds

methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
methyl 6-amino-6-(1,3-dihydro-2-benzofuran-5-yl)hexanoate
CID 63019188
methyl 5-amino-5-[4-(trifluoromethoxy)phenyl]pentanoate
CID 60861488
5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
CID 62933997
methyl 5-amino-5-[2,4-di(propan-2-yl)phenyl]pentanoate
CID 60860655
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
methyl 3-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxopropanoate
CID 82666291
methyl 6-amino-6-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoate
CID 62374233

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate?
The IUPAC name of methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate (CID 60860320) is methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate.
What is the SMILES notation for methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate?
The canonical SMILES for methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate is COC(=O)CCCC(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate?
The InChIKey is PGYOQUJJYOMOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-12(18)4-2-3-9(15)8-5-6-10-11(7-8)17-14(20)13(19)16-10/h5-7,9H,2-4,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate?
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate has a molecular weight of 291.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate is sourced from PubChem (CID 60860320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).