3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid

C15H21NO4 — CID 61007975

IUPAC3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-16(10-9-14(17)18)15(19)12-5-7-13(8-6-12)20-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyREYJDGDBQZJNAX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.41
Rot. Bonds7

About 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid

3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid (PubChem CID 61007975) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
PubChem CID61007975
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-16(10-9-14(17)18)15(19)12-5-7-13(8-6-12)20-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyREYJDGDBQZJNAX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid
CID 82324969
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54898737

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid (CID 61007975) is 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid?
The InChIKey is REYJDGDBQZJNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-16(10-9-14(17)18)15(19)12-5-7-13(8-6-12)20-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid?
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 61007975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).