3-(N-methylanilino)butanoic acid

C11H15NO2 — CID 72755664

IUPAC3-(N-methylanilino)butanoic acid
SMILESCC(CC(=O)O)N(C)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(8-11(13)14)12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeyBMXGUFVPBJTCCX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds4

About 3-(N-methylanilino)butanoic acid

3-(N-methylanilino)butanoic acid (PubChem CID 72755664) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(N-methylanilino)butanoic acid.

Molecular Properties

Compound Name3-(N-methylanilino)butanoic acid
PubChem CID72755664
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(N-methylanilino)butanoic acid
SMILESCC(CC(=O)O)N(C)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(8-11(13)14)12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeyBMXGUFVPBJTCCX-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-methylanilino)pentan-2-one
CID 64697699
3-(4-bromo-N-methylanilino)butanoic acid
CID 82123920
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
3-(N-methyl-4-propan-2-yloxyanilino)butanoic acid
CID 112510494
3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid
CID 82134540
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
2-[2-(N-methylanilino)propanoylamino]propanoic acid
CID 82041910
3-[methyl-(2-methyl-1H-indol-3-yl)amino]butanoic acid
CID 117042118
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
3-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 82482408
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056439
N,3-dimethyl-N-phenylpentanamide
CID 147359069

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)butanoic acid?
The IUPAC name of 3-(N-methylanilino)butanoic acid (CID 72755664) is 3-(N-methylanilino)butanoic acid.
What is the SMILES notation for 3-(N-methylanilino)butanoic acid?
The canonical SMILES for 3-(N-methylanilino)butanoic acid is CC(CC(=O)O)N(C)c1ccccc1.
What is the InChIKey of 3-(N-methylanilino)butanoic acid?
The InChIKey is BMXGUFVPBJTCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(8-11(13)14)12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14).
What are the key properties of 3-(N-methylanilino)butanoic acid?
3-(N-methylanilino)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)butanoic acid is sourced from PubChem (CID 72755664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).