1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid

C14H13NO4 — CID 116857995

IUPAC1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid
SMILESCc1[nH]c2ccccc2c1C1(C(=O)O)CC1C(=O)O
InChIInChI=1S/C14H13NO4/c1-7-11(8-4-2-3-5-10(8)15-7)14(13(18)19)6-9(14)12(16)17/h2-5,9,15H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFHQLLDYULGWSRZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid

1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 116857995) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid
PubChem CID116857995
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid
SMILESCc1[nH]c2ccccc2c1C1(C(=O)O)CC1C(=O)O
InChIInChI=1S/C14H13NO4/c1-7-11(8-4-2-3-5-10(8)15-7)14(13(18)19)6-9(14)12(16)17/h2-5,9,15H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFHQLLDYULGWSRZ-UHFFFAOYSA-N
XLogP1.90
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyl-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113211761
1-[amino-(2-methyl-1H-indol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944083
1-(2-methyl-1H-indol-3-yl)-N,N-dipropylcyclopropane-1-carboxamide
CID 113211753
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211833
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
3-(2-methyl-1H-indol-3-yl)oxetane-3-thiol
CID 116872874
methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate
CID 116873455
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278474
(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82305589
1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182147

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid (CID 116857995) is 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid is Cc1[nH]c2ccccc2c1C1(C(=O)O)CC1C(=O)O.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is FHQLLDYULGWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-7-11(8-4-2-3-5-10(8)15-7)14(13(18)19)6-9(14)12(16)17/h2-5,9,15H,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid?
1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 116857995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).