2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid

C12H15NO2 — CID 103264014

IUPAC2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid
SMILESCC1(NCc2ccccc2C(=O)O)CC1
InChIInChI=1S/C12H15NO2/c1-12(6-7-12)13-8-9-4-2-3-5-10(9)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyIRXNKKGSAPIPBU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.03
Rot. Bonds4

About 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid

2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid (PubChem CID 103264014) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid
PubChem CID103264014
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid
SMILESCC1(NCc2ccccc2C(=O)O)CC1
InChIInChI=1S/C12H15NO2/c1-12(6-7-12)13-8-9-4-2-3-5-10(9)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyIRXNKKGSAPIPBU-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid?
The IUPAC name of 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid (CID 103264014) is 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid is CC1(NCc2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid?
The InChIKey is IRXNKKGSAPIPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(6-7-12)13-8-9-4-2-3-5-10(9)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid?
2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid is sourced from PubChem (CID 103264014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).