methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate

C15H18N2O4 — CID 82349947

IUPACmethyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H18N2O4/c1-16-12(5-6-14(19)21-2)15(20)9-3-4-11-10(7-9)8-13(18)17-11/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGNXKVNBJLRONCU-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds6

About methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate

methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate (PubChem CID 82349947) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
PubChem CID82349947
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H18N2O4/c1-16-12(5-6-14(19)21-2)15(20)9-3-4-11-10(7-9)8-13(18)17-11/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGNXKVNBJLRONCU-UHFFFAOYSA-N
XLogP0.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712665
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate?
The IUPAC name of methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate (CID 82349947) is methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate.
What is the SMILES notation for methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate?
The canonical SMILES for methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate is CNC(CCC(=O)OC)C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate?
The InChIKey is GNXKVNBJLRONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-12(5-6-14(19)21-2)15(20)9-3-4-11-10(7-9)8-13(18)17-11/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate?
methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate has a molecular weight of 290.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate is sourced from PubChem (CID 82349947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).