5-methoxy-3-propan-2-yl-1H-indole;oxalic acid

C14H17NO5 — CID 19389680

IUPAC5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
SMILESCOc1ccc2[nH]cc(C(C)C)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C12H15NO.C2H2O4/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;3-1(4)2(5)6/h4-8,13H,1-3H3;(H,3,4)(H,5,6)
InChIKeyYGLMQQSNEVFYNT-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.46
Rot. Bonds2

About 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid

5-methoxy-3-propan-2-yl-1H-indole;oxalic acid (PubChem CID 19389680) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
PubChem CID19389680
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
SMILESCOc1ccc2[nH]cc(C(C)C)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C12H15NO.C2H2O4/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;3-1(4)2(5)6/h4-8,13H,1-3H3;(H,3,4)(H,5,6)
InChIKeyYGLMQQSNEVFYNT-UHFFFAOYSA-N
XLogP2.46
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid
CID 22669412
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
1-dimethoxyphosphoryl-4-(5-methoxy-1H-indol-3-yl)pentan-2-one
CID 102085715
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
methyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171239452
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid?
The IUPAC name of 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid (CID 19389680) is 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid.
What is the SMILES notation for 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid?
The canonical SMILES for 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid is COc1ccc2[nH]cc(C(C)C)c2c1.O=C(O)C(=O)O.
What is the InChIKey of 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid?
The InChIKey is YGLMQQSNEVFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H2O4/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;3-1(4)2(5)6/h4-8,13H,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid?
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid has a molecular weight of 279.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yl-1H-indole;oxalic acid is sourced from PubChem (CID 19389680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).