2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid

C12H12N2O4 — CID 63930965

IUPAC2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
SMILESCc1[nH]c2ccccc2c1C(=O)NOCC(=O)O
InChIInChI=1S/C12H12N2O4/c1-7-11(12(17)14-18-6-10(15)16)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyFPAZBROWJCBWSK-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.22
Rot. Bonds4

About 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid

2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid (PubChem CID 63930965) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
PubChem CID63930965
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
SMILESCc1[nH]c2ccccc2c1C(=O)NOCC(=O)O
InChIInChI=1S/C12H12N2O4/c1-7-11(12(17)14-18-6-10(15)16)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyFPAZBROWJCBWSK-UHFFFAOYSA-N
XLogP1.22
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 79814346
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid (CID 63930965) is 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid is Cc1[nH]c2ccccc2c1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid?
The InChIKey is FPAZBROWJCBWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-11(12(17)14-18-6-10(15)16)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid?
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63930965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).