2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine

C14H19NO4 — CID 174646210

IUPAC2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
SMILESCN(C)C.O=C(O)c1ccc2c(c1)C(C(=O)O)CC2
InChIInChI=1S/C11H10O4.C3H9N/c12-10(13)7-2-1-6-3-4-8(11(14)15)9(6)5-7;1-4(2)3/h1-2,5,8H,3-4H2,(H,12,13)(H,14,15);1-3H3
InChIKeyFPYVZGSPOKDABY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds2

About 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine

2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine (PubChem CID 174646210) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
PubChem CID174646210
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
SMILESCN(C)C.O=C(O)c1ccc2c(c1)C(C(=O)O)CC2
InChIInChI=1S/C11H10O4.C3H9N/c12-10(13)7-2-1-6-3-4-8(11(14)15)9(6)5-7;1-4(2)3/h1-2,5,8H,3-4H2,(H,12,13)(H,14,15);1-3H3
InChIKeyFPYVZGSPOKDABY-UHFFFAOYSA-N
XLogP1.68
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71174188
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
6-methylsulfonyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 70832765
3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799117
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66827063
3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505204
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 70978507
(5S)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
CID 91212770
5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 22902102

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine?
The IUPAC name of 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine (CID 174646210) is 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine.
What is the SMILES notation for 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine?
The canonical SMILES for 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine is CN(C)C.O=C(O)c1ccc2c(c1)C(C(=O)O)CC2.
What is the InChIKey of 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine?
The InChIKey is FPYVZGSPOKDABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4.C3H9N/c12-10(13)7-2-1-6-3-4-8(11(14)15)9(6)5-7;1-4(2)3/h1-2,5,8H,3-4H2,(H,12,13)(H,14,15);1-3H3.
What are the key properties of 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine?
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine has a molecular weight of 265.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine is sourced from PubChem (CID 174646210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).