3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid

C14H18N2O2 — CID 68593108

IUPAC3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid
SMILESCC1Cc2ccccc2C1NC1CN(C(=O)O)C1
InChIInChI=1S/C14H18N2O2/c1-9-6-10-4-2-3-5-12(10)13(9)15-11-7-16(8-11)14(17)18/h2-5,9,11,13,15H,6-8H2,1H3,(H,17,18)
InChIKeyLNZZOIZPHPLUQA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds2

About 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid

3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid (PubChem CID 68593108) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid
PubChem CID68593108
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid
SMILESCC1Cc2ccccc2C1NC1CN(C(=O)O)C1
InChIInChI=1S/C14H18N2O2/c1-9-6-10-4-2-3-5-12(10)13(9)15-11-7-16(8-11)14(17)18/h2-5,9,11,13,15H,6-8H2,1H3,(H,17,18)
InChIKeyLNZZOIZPHPLUQA-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(4-phenoxyphenyl)azetidine-1-carboxamide
CID 91602321
3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid
CID 68593361
N-cyclopentyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 115889725
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
CID 110025348
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid (CID 68593108) is 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid is CC1Cc2ccccc2C1NC1CN(C(=O)O)C1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid?
The InChIKey is LNZZOIZPHPLUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-6-10-4-2-3-5-12(10)13(9)15-11-7-16(8-11)14(17)18/h2-5,9,11,13,15H,6-8H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid?
3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 68593108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).