2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid

C15H21NO3 — CID 63690018

IUPAC2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21NO3/c1-5-6-16(9-17)14(15(18)19)13-11(3)7-10(2)8-12(13)4/h7-9,14H,5-6H2,1-4H3,(H,18,19)
InChIKeyLCMYFKXWOHXGCL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.61
Rot. Bonds6

About 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid

2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid (PubChem CID 63690018) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid
PubChem CID63690018
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21NO3/c1-5-6-16(9-17)14(15(18)19)13-11(3)7-10(2)8-12(13)4/h7-9,14H,5-6H2,1-4H3,(H,18,19)
InChIKeyLCMYFKXWOHXGCL-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid (CID 63690018) is 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid is CCCN(C=O)C(C(=O)O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid?
The InChIKey is LCMYFKXWOHXGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-6-16(9-17)14(15(18)19)13-11(3)7-10(2)8-12(13)4/h7-9,14H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid?
2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 63690018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).