2-[acetyl(ethyl)amino]-2-phenylbutanoic acid

C14H19NO3 — CID 63701693

IUPAC2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
SMILESCCN(C(C)=O)C(CC)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-14(13(17)18,15(5-2)11(3)16)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyNVLFPGGPASHMDB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds5

About 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid

2-[acetyl(ethyl)amino]-2-phenylbutanoic acid (PubChem CID 63701693) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
PubChem CID63701693
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
SMILESCCN(C(C)=O)C(CC)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-14(13(17)18,15(5-2)11(3)16)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyNVLFPGGPASHMDB-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 55232397
2-[acetyl(methyl)amino]-2-phenylbutanoic acid
CID 63701928
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
2-[acetyl(propyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63701379
2-[ethyl(methyl)amino]-2-phenylpentanoic acid
CID 114992182
2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
CID 55233997
2-[acetyl(methyl)amino]-2-(3-fluorophenyl)butanoic acid
CID 114872016
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(3-fluorophenyl)butanoic acid
CID 104982116
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid (CID 63701693) is 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid is CCN(C(C)=O)C(CC)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid?
The InChIKey is NVLFPGGPASHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-14(13(17)18,15(5-2)11(3)16)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid?
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 63701693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).