4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid

C14H20N2O3 — CID 82350787

IUPAC4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid
SMILESCCNC(CC(=O)O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-15-13(9-14(18)19)8-11-4-6-12(7-5-11)16-10(2)17/h4-7,13,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWLVMRNHLXFJOCH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds7

About 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid

4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid (PubChem CID 82350787) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid
PubChem CID82350787
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid
SMILESCCNC(CC(=O)O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-15-13(9-14(18)19)8-11-4-6-12(7-5-11)16-10(2)17/h4-7,13,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWLVMRNHLXFJOCH-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350789
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545
4-(4-acetamidophenyl)-3-bromobutanoic acid
CID 82351983
4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
4-(4-methylphenyl)-3-(prop-2-enylamino)butanoic acid
CID 82350432
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
4-(4-methylphenyl)-3-(pentylamino)butanoic acid
CID 82350428
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
4-(4-acetamidophenyl)-3-bromo-4-oxobutanoic acid
CID 79786902
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid?
The IUPAC name of 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid (CID 82350787) is 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid?
The canonical SMILES for 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid is CCNC(CC(=O)O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid?
The InChIKey is WLVMRNHLXFJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-15-13(9-14(18)19)8-11-4-6-12(7-5-11)16-10(2)17/h4-7,13,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid?
4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid is sourced from PubChem (CID 82350787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).