2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid

C14H19NO2 — CID 61001565

IUPAC2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVNCOWWCNPGAMQX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid

2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 61001565) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID61001565
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVNCOWWCNPGAMQX-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992549
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
2-[(2-methylsulfonylphenyl)methylamino]-1,3-dihydroindene-2-carboxylic acid
CID 141221672
5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
CID 113291821
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
CID 60993681
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid (CID 61001565) is 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid is CC(C)CNC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is VNCOWWCNPGAMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 61001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).