2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid

C13H16N2O3 — CID 114989844

IUPAC2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCNC(=O)CNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c1-14-11(16)8-15-13(12(17)18)6-9-4-2-3-5-10(9)7-13/h2-5,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyXGKMMOVKDVAEMR-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.06
Rot. Bonds4

About 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 114989844) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID114989844
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCNC(=O)CNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c1-14-11(16)8-15-13(12(17)18)6-9-4-2-3-5-10(9)7-13/h2-5,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyXGKMMOVKDVAEMR-UHFFFAOYSA-N
XLogP-0.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
2-[(2-methylsulfonylphenyl)methylamino]-1,3-dihydroindene-2-carboxylic acid
CID 141221672
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992549
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
CID 60993681
methyl 2-(2,2,2-trifluoroethylamino)-1,3-dihydroindene-2-carboxylate
CID 54892948
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 114989844) is 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid is CNC(=O)CNC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is XGKMMOVKDVAEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-11(16)8-15-13(12(17)18)6-9-4-2-3-5-10(9)7-13/h2-5,15H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 114989844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).