4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid

C15H16N2O4 — CID 66257202

IUPAC4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H16N2O4/c1-15(14(19)20)8-21-7-12(15)17-13(18)10-3-2-9-4-5-16-11(9)6-10/h2-6,12,16H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDOKKQMGCFSSHS-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.39
Rot. Bonds3

About 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid

4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66257202) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66257202
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H16N2O4/c1-15(14(19)20)8-21-7-12(15)17-13(18)10-3-2-9-4-5-16-11(9)6-10/h2-6,12,16H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDOKKQMGCFSSHS-UHFFFAOYSA-N
XLogP1.39
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(indole-3-butanoyl)-L-homoserine lactone
CID 11536540
Glycine, N-(1H-indol-3-yloxoacetyl)-, ethyl ester
CID 7117292
Valine, N-(3-indolyloxalyl)-, DL-
CID 24847656
DL-Valine, N-(1H-indol-3-yloxoacetyl)-, ethyl ester
CID 24847657
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-1H-indole-6-carboxamide
CID 44302078
[(3S)-1-(1H-indole-6-carbonyl)-4,4-dimethylpyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 46881202
N-heptan-4-yl-1H-indole-6-carboxamide
CID 57527774
ethyl (2S)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoate
CID 14541488
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoate
CID 14541487
[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 71837199
Indole-3-carboxamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-
CID 58938
ethyl (2R)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoate
CID 14541489

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid (CID 66257202) is 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is JDOKKQMGCFSSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(14(19)20)8-21-7-12(15)17-13(18)10-3-2-9-4-5-16-11(9)6-10/h2-6,12,16H,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid?
4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66257202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).