5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid

C14H18N2O3 — CID 115218869

IUPAC5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
SMILESCN1C(=O)Cc2cc(NCCCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-12-6-5-11(8-10(12)9-13(16)17)15-7-3-2-4-14(18)19/h5-6,8,15H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyWXARSJFSDZTPGC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds6

About 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid

5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid (PubChem CID 115218869) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
PubChem CID115218869
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
SMILESCN1C(=O)Cc2cc(NCCCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-12-6-5-11(8-10(12)9-13(16)17)15-7-3-2-4-14(18)19/h5-6,8,15H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyWXARSJFSDZTPGC-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
CID 82539115
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid
CID 82539109
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
CID 98033832
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115200987
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
3-[ethyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 117099943

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid?
The IUPAC name of 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid (CID 115218869) is 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid is CN1C(=O)Cc2cc(NCCCCC(=O)O)ccc21.
What is the InChIKey of 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid?
The InChIKey is WXARSJFSDZTPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-12-6-5-11(8-10(12)9-13(16)17)15-7-3-2-4-14(18)19/h5-6,8,15H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid?
5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid is sourced from PubChem (CID 115218869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).