4-[1-(methylaminomethyl)cyclopropyl]benzoic acid

C12H15NO2 — CID 116989151

IUPAC4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
SMILESCNCC1(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C12H15NO2/c1-13-8-12(6-7-12)10-4-2-9(3-5-10)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyICLONZZXUIYYRX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds4

About 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid

4-[1-(methylaminomethyl)cyclopropyl]benzoic acid (PubChem CID 116989151) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
PubChem CID116989151
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
SMILESCNCC1(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C12H15NO2/c1-13-8-12(6-7-12)10-4-2-9(3-5-10)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyICLONZZXUIYYRX-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid?
The IUPAC name of 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid (CID 116989151) is 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid?
The canonical SMILES for 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid is CNCC1(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid?
The InChIKey is ICLONZZXUIYYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-12(6-7-12)10-4-2-9(3-5-10)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid?
4-[1-(methylaminomethyl)cyclopropyl]benzoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylaminomethyl)cyclopropyl]benzoic acid is sourced from PubChem (CID 116989151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).