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

C14H19NO3 — CID 55232403

IUPAC2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)N(C=O)CC)cc1
InChIInChI=1S/C14H19NO3/c1-4-11-6-8-12(9-7-11)14(3,13(17)18)15(5-2)10-16/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyRXPKDCUNVMHDRF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds6

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

2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid (PubChem CID 55232403) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
PubChem CID55232403
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)N(C=O)CC)cc1
InChIInChI=1S/C14H19NO3/c1-4-11-6-8-12(9-7-11)14(3,13(17)18)15(5-2)10-16/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyRXPKDCUNVMHDRF-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 63705343
2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 63688316
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
2-[formyl(propyl)amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 63689105
2-(4-fluorophenyl)-2-[formyl(propyl)amino]propanoic acid
CID 63689460
3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
CID 64527978
2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid
CID 141497215
2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 55231810
2-(3-chloro-4-fluorophenyl)-2-[formyl(propyl)amino]propanoic acid
CID 63689107
2-[formyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 63690009
2-[formyl(propyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 55232605
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid (CID 55232403) is 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid is CCc1ccc(C(C)(C(=O)O)N(C=O)CC)cc1.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid?
The InChIKey is RXPKDCUNVMHDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-11-6-8-12(9-7-11)14(3,13(17)18)15(5-2)10-16/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid?
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 55232403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).