2-(2,3-dimethyl-N-propylanilino)acetic acid

C13H19NO2 — CID 83560260

IUPAC2-(2,3-dimethyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-4-8-14(9-13(15)16)12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyNDNVJACFHFHZBC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.60
Rot. Bonds5

About 2-(2,3-dimethyl-N-propylanilino)acetic acid

2-(2,3-dimethyl-N-propylanilino)acetic acid (PubChem CID 83560260) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-propylanilino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-propylanilino)acetic acid
PubChem CID83560260
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,3-dimethyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-4-8-14(9-13(15)16)12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyNDNVJACFHFHZBC-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
2-(N-formyl-2,3-dimethylanilino)acetic acid
CID 4091384
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
2-(2-cyano-N-propylanilino)acetic acid
CID 61009108
2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-(3-fluoro-2-nitro-N-propylanilino)acetic acid
CID 61008653
2-(3-chloro-2-nitro-N-propylanilino)acetic acid
CID 104835130
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-propylanilino)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-N-propylanilino)acetic acid (CID 83560260) is 2-(2,3-dimethyl-N-propylanilino)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-N-propylanilino)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-N-propylanilino)acetic acid is CCCN(CC(=O)O)c1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-propylanilino)acetic acid?
The InChIKey is NDNVJACFHFHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-8-14(9-13(15)16)12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,3-dimethyl-N-propylanilino)acetic acid?
2-(2,3-dimethyl-N-propylanilino)acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-propylanilino)acetic acid is sourced from PubChem (CID 83560260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).