2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid

C13H19NO2 — CID 119958661

IUPAC2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
SMILESCc1ccc(C)c(N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)14(8-13(15)16)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyWGRMOZCWXPNGIF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.60
Rot. Bonds4

About 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid

2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid (PubChem CID 119958661) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
PubChem CID119958661
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
SMILESCc1ccc(C)c(N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)14(8-13(15)16)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyWGRMOZCWXPNGIF-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid?
The IUPAC name of 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid (CID 119958661) is 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid.
What is the SMILES notation for 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid?
The canonical SMILES for 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid is Cc1ccc(C)c(N(CC(=O)O)C(C)C)c1.
What is the InChIKey of 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid?
The InChIKey is WGRMOZCWXPNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)14(8-13(15)16)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid?
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid is sourced from PubChem (CID 119958661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).