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

C15H16N2O4 — CID 64888814

IUPAC3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H16N2O4/c1-9-12(10-4-2-3-5-11(10)16-9)13(18)17-15(14(19)20)6-7-21-8-15/h2-5,16H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyDHTRLQLOAVKIPW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.45
Rot. Bonds3

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

3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888814) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64888814
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H16N2O4/c1-9-12(10-4-2-3-5-11(10)16-9)13(18)17-15(14(19)20)6-7-21-8-15/h2-5,16H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyDHTRLQLOAVKIPW-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543132
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64890196
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888237
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
CID 64890052
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 64888814) is 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid is Cc1[nH]c2ccccc2c1C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DHTRLQLOAVKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-12(10-4-2-3-5-11(10)16-9)13(18)17-15(14(19)20)6-7-21-8-15/h2-5,16H,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).