3-(4-methylanilino)propanoic acid

C10H13NO2 — CID 2384526

IUPAC3-(4-methylanilino)propanoic acid
SMILESCc1ccc(NCCC(=O)O)cc1
InChIInChI=1S/C10H13NO2/c1-8-2-4-9(5-3-8)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyRPXQLBYEQLJBTB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.88
Rot. Bonds4

About 3-(4-methylanilino)propanoic acid

3-(4-methylanilino)propanoic acid (PubChem CID 2384526) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(4-methylanilino)propanoic acid.

Molecular Properties

Compound Name3-(4-methylanilino)propanoic acid
PubChem CID2384526
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(4-methylanilino)propanoic acid
SMILESCc1ccc(NCCC(=O)O)cc1
InChIInChI=1S/C10H13NO2/c1-8-2-4-9(5-3-8)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyRPXQLBYEQLJBTB-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)propanoic acid?
The IUPAC name of 3-(4-methylanilino)propanoic acid (CID 2384526) is 3-(4-methylanilino)propanoic acid.
What is the SMILES notation for 3-(4-methylanilino)propanoic acid?
The canonical SMILES for 3-(4-methylanilino)propanoic acid is Cc1ccc(NCCC(=O)O)cc1.
What is the InChIKey of 3-(4-methylanilino)propanoic acid?
The InChIKey is RPXQLBYEQLJBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-2-4-9(5-3-8)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 3-(4-methylanilino)propanoic acid?
3-(4-methylanilino)propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)propanoic acid is sourced from PubChem (CID 2384526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).