3-cyclopropyl-4-(methylamino)benzoic acid

C11H13NO2 — CID 176970275

IUPAC3-cyclopropyl-4-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C11H13NO2/c1-12-10-5-4-8(11(13)14)6-9(10)7-2-3-7/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKeyVLFXFQKESDCETP-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.30
Rot. Bonds3

About 3-cyclopropyl-4-(methylamino)benzoic acid

3-cyclopropyl-4-(methylamino)benzoic acid (PubChem CID 176970275) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-cyclopropyl-4-(methylamino)benzoic acid.

Molecular Properties

Compound Name3-cyclopropyl-4-(methylamino)benzoic acid
PubChem CID176970275
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-cyclopropyl-4-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C11H13NO2/c1-12-10-5-4-8(11(13)14)6-9(10)7-2-3-7/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKeyVLFXFQKESDCETP-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(methylamino)benzoic acid?
The IUPAC name of 3-cyclopropyl-4-(methylamino)benzoic acid (CID 176970275) is 3-cyclopropyl-4-(methylamino)benzoic acid.
What is the SMILES notation for 3-cyclopropyl-4-(methylamino)benzoic acid?
The canonical SMILES for 3-cyclopropyl-4-(methylamino)benzoic acid is CNc1ccc(C(=O)O)cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-(methylamino)benzoic acid?
The InChIKey is VLFXFQKESDCETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-10-5-4-8(11(13)14)6-9(10)7-2-3-7/h4-7,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-cyclopropyl-4-(methylamino)benzoic acid?
3-cyclopropyl-4-(methylamino)benzoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(methylamino)benzoic acid is sourced from PubChem (CID 176970275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).