2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid

C14H19NO3 — CID 63704061

IUPAC2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO3/c1-9(2)15(11(4)16)13(14(17)18)12-7-5-10(3)6-8-12/h5-9,13H,1-4H3,(H,17,18)
InChIKeyGIACBLVAQQBZMK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.38
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid

2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid (PubChem CID 63704061) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid
PubChem CID63704061
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO3/c1-9(2)15(11(4)16)13(14(17)18)12-7-5-10(3)6-8-12/h5-9,13H,1-4H3,(H,17,18)
InChIKeyGIACBLVAQQBZMK-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid (CID 63704061) is 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid is CC(=O)N(C(C)C)C(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid?
The InChIKey is GIACBLVAQQBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)15(11(4)16)13(14(17)18)12-7-5-10(3)6-8-12/h5-9,13H,1-4H3,(H,17,18).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid?
2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 63704061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).