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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Related Compounds

4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid
CID 68843210
4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid
CID 166317726
4-[1-(1,1-difluoroethyl)cyclopropyl]benzoic acid
CID 84725778
N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
CID 112517810
3-[[[1-(4-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122030975
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
CID 116921365
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
4-[2-[4-(1-ethylcyclobutyl)phenyl]propan-2-yloxycarbonyl]benzoic acid
CID 164986758
2-methoxy-4-[1-(methylaminomethyl)cyclopropyl]phenol
CID 105425961
methane;4-(methylaminomethyl)benzoic acid
CID 159753139

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).