1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C15H18N2O4 — CID 80564903

IUPAC1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC1(C(=O)N2CC(C(=O)O)c3ccccc32)COCC1N
InChIInChI=1S/C15H18N2O4/c1-15(8-21-7-12(15)16)14(20)17-6-10(13(18)19)9-4-2-3-5-11(9)17/h2-5,10,12H,6-8,16H2,1H3,(H,18,19)
InChIKeyCEIUFEAZOHRESV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.57
Rot. Bonds2

About 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564903) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564903
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC1(C(=O)N2CC(C(=O)O)c3ccccc32)COCC1N
InChIInChI=1S/C15H18N2O4/c1-15(8-21-7-12(15)16)14(20)17-6-10(13(18)19)9-4-2-3-5-11(9)17/h2-5,10,12H,6-8,16H2,1H3,(H,18,19)
InChIKeyCEIUFEAZOHRESV-UHFFFAOYSA-N
XLogP0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 115448717
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565326
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963
(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66250974
1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564136
(3S)-1-(3-methylbut-2-enoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575403
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 104669848
1-(5-amino-2-methylpentanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 115867162
1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564871

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564903) is 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CC1(C(=O)N2CC(C(=O)O)c3ccccc32)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is CEIUFEAZOHRESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(8-21-7-12(15)16)14(20)17-6-10(13(18)19)9-4-2-3-5-11(9)17/h2-5,10,12H,6-8,16H2,1H3,(H,18,19).
What are the key properties of 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).