2-(2-methyl-N-propylanilino)acetic acid

C12H17NO2 — CID 83559835

IUPAC2-(2-methyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1ccccc1C
InChIInChI=1S/C12H17NO2/c1-3-8-13(9-12(14)15)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyIXYMWCUXINFPEH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-methyl-N-propylanilino)acetic acid

2-(2-methyl-N-propylanilino)acetic acid (PubChem CID 83559835) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2-methyl-N-propylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-N-propylanilino)acetic acid
PubChem CID83559835
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2-methyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1ccccc1C
InChIInChI=1S/C12H17NO2/c1-3-8-13(9-12(14)15)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyIXYMWCUXINFPEH-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethyl-N-propylanilino)acetic acid
CID 83560260
2-(2-cyano-N-propylanilino)acetic acid
CID 61009108
2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
CID 61007878
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
N,2-dimethyl-N-propylaniline
CID 69435269
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
2-(3-fluoro-2-nitro-N-propylanilino)acetic acid
CID 61008653
2-(3-chloro-2-nitro-N-propylanilino)acetic acid
CID 104835130

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-propylanilino)acetic acid?
The IUPAC name of 2-(2-methyl-N-propylanilino)acetic acid (CID 83559835) is 2-(2-methyl-N-propylanilino)acetic acid.
What is the SMILES notation for 2-(2-methyl-N-propylanilino)acetic acid?
The canonical SMILES for 2-(2-methyl-N-propylanilino)acetic acid is CCCN(CC(=O)O)c1ccccc1C.
What is the InChIKey of 2-(2-methyl-N-propylanilino)acetic acid?
The InChIKey is IXYMWCUXINFPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-8-13(9-12(14)15)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methyl-N-propylanilino)acetic acid?
2-(2-methyl-N-propylanilino)acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-propylanilino)acetic acid is sourced from PubChem (CID 83559835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).