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

C14H18N2O3 — CID 43119634

IUPAC5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
SMILESCN1C(=O)Cc2cc(C(N)CCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-12-6-5-9(7-10(12)8-13(16)17)11(15)3-2-4-14(18)19/h5-7,11H,2-4,8,15H2,1H3,(H,18,19)
InChIKeyRORMSZGGRZBYTN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.46
Rot. Bonds5

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

5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid (PubChem CID 43119634) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
PubChem CID43119634
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
SMILESCN1C(=O)Cc2cc(C(N)CCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-12-6-5-9(7-10(12)8-13(16)17)11(15)3-2-4-14(18)19/h5-7,11H,2-4,8,15H2,1H3,(H,18,19)
InChIKeyRORMSZGGRZBYTN-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid
CID 63106874
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid?
The IUPAC name of 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid (CID 43119634) is 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid is CN1C(=O)Cc2cc(C(N)CCCC(=O)O)ccc21.
What is the InChIKey of 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid?
The InChIKey is RORMSZGGRZBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-12-6-5-9(7-10(12)8-13(16)17)11(15)3-2-4-14(18)19/h5-7,11H,2-4,8,15H2,1H3,(H,18,19).
What are the key properties of 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid?
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid is sourced from PubChem (CID 43119634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).