2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid

C15H21NO2 — CID 115221256

IUPAC2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Cc1ccc(NCC2CC2C(=O)O)cc1
InChIInChI=1S/C15H21NO2/c1-10(2)7-11-3-5-13(6-4-11)16-9-12-8-14(12)15(17)18/h3-6,10,12,14,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyRZEJJOXKGUPNIA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.02
Rot. Bonds6

About 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid

2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221256) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221256
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Cc1ccc(NCC2CC2C(=O)O)cc1
InChIInChI=1S/C15H21NO2/c1-10(2)7-11-3-5-13(6-4-11)16-9-12-8-14(12)15(17)18/h3-6,10,12,14,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyRZEJJOXKGUPNIA-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 94682447
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
1-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115242698
2-[(3-fluoro-4-methoxyanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221253
2-[4-(2-methylpropyl)anilino]acetamide
CID 96671110
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
3-[N-methyl-4-(2-methylpropyl)anilino]cyclobutane-1-carboxylic acid
CID 117042861
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
cis-(1S,3R)-3-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 59134584

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid (CID 115221256) is 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid is CC(C)Cc1ccc(NCC2CC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RZEJJOXKGUPNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)7-11-3-5-13(6-4-11)16-9-12-8-14(12)15(17)18/h3-6,10,12,14,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid?
2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).