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

C15H21NO3 — CID 63705343

IUPAC2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)N(C=O)C(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-5-12-6-8-13(9-7-12)15(4,14(18)19)16(10-17)11(2)3/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyOPKBXADENNHWSP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds6

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

2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid (PubChem CID 63705343) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
PubChem CID63705343
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)N(C=O)C(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-5-12-6-8-13(9-7-12)15(4,14(18)19)16(10-17)11(2)3/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyOPKBXADENNHWSP-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
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-ethylphenyl)-2-propan-2-yloxypropanoic acid
CID 114992341
2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 63688316
2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 55231810
3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
CID 64527978
2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid
CID 63704841
2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid
CID 141497215
2-(4-fluorophenyl)-2-[formyl(propyl)amino]propanoic acid
CID 63689460
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
CID 43754189
3-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 120687231

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid (CID 63705343) is 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid is CCc1ccc(C(C)(C(=O)O)N(C=O)C(C)C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid?
The InChIKey is OPKBXADENNHWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-12-6-8-13(9-7-12)15(4,14(18)19)16(10-17)11(2)3/h6-11H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid?
2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 63705343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).