1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid

C15H21NO2 — CID 103563434

IUPAC1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CC(C(C)C)C1
InChIInChI=1S/C15H21NO2/c1-10(2)12-8-15(9-12,14(17)18)16-13-7-5-4-6-11(13)3/h4-7,10,12,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyMXNJWGDHKNMTBC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds4

About 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid

1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 103563434) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID103563434
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CC(C(C)C)C1
InChIInChI=1S/C15H21NO2/c1-10(2)12-8-15(9-12,14(17)18)16-13-7-5-4-6-11(13)3/h4-7,10,12,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyMXNJWGDHKNMTBC-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-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

8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60992317
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-(4-chloroanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563503
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
1-(3-chloroanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563444
4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol
CID 103564791
2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 60994611

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid (CID 103563434) is 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid is Cc1ccccc1NC1(C(=O)O)CC(C(C)C)C1.
What is the InChIKey of 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is MXNJWGDHKNMTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)12-8-15(9-12,14(17)18)16-13-7-5-4-6-11(13)3/h4-7,10,12,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103563434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).