2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid

C15H21NO4 — CID 63688316

IUPAC2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCCN(C=O)C(C)(C(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-5-16(10-17)15(4,14(18)19)12-6-8-13(9-7-12)20-11(2)3/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyLTFXBIZIOHVKHD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds7

About 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid

2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 63688316) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID63688316
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCCN(C=O)C(C)(C(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-5-16(10-17)15(4,14(18)19)12-6-8-13(9-7-12)20-11(2)3/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyLTFXBIZIOHVKHD-UHFFFAOYSA-N
XLogP2.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
2-[formyl(propyl)amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 63689105
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
2-(4-fluorophenyl)-2-[formyl(propyl)amino]propanoic acid
CID 63689460
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
2,2,3,3-tetramethyl-4,4-bis(4-propan-2-yloxyphenyl)hexanedioic acid
CID 19013093
3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 65233979
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-(4-tert-butylphenoxy)propanoate
CID 71431991
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid (CID 63688316) is 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid is CCN(C=O)C(C)(C(=O)O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is LTFXBIZIOHVKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-16(10-17)15(4,14(18)19)12-6-8-13(9-7-12)20-11(2)3/h6-11H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid?
2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 63688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).