4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid

C14H16N2O4 — CID 82349945

IUPAC4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
SMILESCNC(CCC(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16N2O4/c1-15-11(4-5-13(18)19)14(20)8-2-3-10-9(6-8)7-12(17)16-10/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyPOTJSXCWDOLNID-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.82
Rot. Bonds6

About 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid

4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid (PubChem CID 82349945) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid.

Molecular Properties

Compound Name4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
PubChem CID82349945
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
SMILESCNC(CCC(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16N2O4/c1-15-11(4-5-13(18)19)14(20)8-2-3-10-9(6-8)7-12(17)16-10/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyPOTJSXCWDOLNID-UHFFFAOYSA-N
XLogP0.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
CID 82349947
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
5-(3,4-dichlorophenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349254
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710636
3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710709
N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712665
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
The IUPAC name of 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid (CID 82349945) is 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid.
What is the SMILES notation for 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
The canonical SMILES for 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid is CNC(CCC(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
The InChIKey is POTJSXCWDOLNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-15-11(4-5-13(18)19)14(20)8-2-3-10-9(6-8)7-12(17)16-10/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid is sourced from PubChem (CID 82349945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).