2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid

C13H14N2O4 — CID 115141454

IUPAC2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
SMILESCN1C(=O)Cc2cc(CCNC(=O)C(=O)O)ccc21
InChIInChI=1S/C13H14N2O4/c1-15-10-3-2-8(6-9(10)7-11(15)16)4-5-14-12(17)13(18)19/h2-3,6H,4-5,7H2,1H3,(H,14,17)(H,18,19)
InChIKeyMNXAWSIJQFRSQY-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.05
Rot. Bonds3

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

2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid (PubChem CID 115141454) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
PubChem CID115141454
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
SMILESCN1C(=O)Cc2cc(CCNC(=O)C(=O)O)ccc21
InChIInChI=1S/C13H14N2O4/c1-15-10-3-2-8(6-9(10)7-11(15)16)4-5-14-12(17)13(18)19/h2-3,6H,4-5,7H2,1H3,(H,14,17)(H,18,19)
InChIKeyMNXAWSIJQFRSQY-UHFFFAOYSA-N
XLogP-0.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid?
The IUPAC name of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid (CID 115141454) is 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid is CN1C(=O)Cc2cc(CCNC(=O)C(=O)O)ccc21.
What is the InChIKey of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid?
The InChIKey is MNXAWSIJQFRSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-10-3-2-8(6-9(10)7-11(15)16)4-5-14-12(17)13(18)19/h2-3,6H,4-5,7H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid?
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid has a molecular weight of 262.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid is sourced from PubChem (CID 115141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).