2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid

C12H15NO2 — CID 62702673

IUPAC2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(N(C)C2CC2)c1
InChIInChI=1S/C12H15NO2/c1-8-3-6-10(12(14)15)11(7-8)13(2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,14,15)
InChIKeySKNIYKZSHQGUCH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.29
Rot. Bonds3

About 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid

2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid (PubChem CID 62702673) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
PubChem CID62702673
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(N(C)C2CC2)c1
InChIInChI=1S/C12H15NO2/c1-8-3-6-10(12(14)15)11(7-8)13(2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,14,15)
InChIKeySKNIYKZSHQGUCH-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490
2-[ethyl(methyl)amino]-4-methylbenzoic acid
CID 62703009
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
N-cyclopropyl-2-fluoro-N,5-dimethylaniline
CID 174823652
4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 62701484
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
2-bromo-4-[cyclopropyl(methyl)amino]-3-fluorobenzoic acid
CID 107540121
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
CID 82966870

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid (CID 62702673) is 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(N(C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid?
The InChIKey is SKNIYKZSHQGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-6-10(12(14)15)11(7-8)13(2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid?
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 62702673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).