2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid

C16H23NO3 — CID 78948228

IUPAC2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
SMILESCCC(CC)(CC(=O)N[C@H](C)c1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-4-16(5-2,15(19)20)11-14(18)17-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyDZRDXSMLOLEXBR-GFCCVEGCSA-N
MW277.36 g/mol
LogP3.14
Rot. Bonds7

About 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid

2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid (PubChem CID 78948228) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
PubChem CID78948228
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
SMILESCCC(CC)(CC(=O)N[C@H](C)c1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-4-16(5-2,15(19)20)11-14(18)17-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyDZRDXSMLOLEXBR-GFCCVEGCSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 8865880
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid?
The IUPAC name of 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid (CID 78948228) is 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid.
What is the SMILES notation for 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid?
The canonical SMILES for 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid is CCC(CC)(CC(=O)N[C@H](C)c1ccccc1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid?
The InChIKey is DZRDXSMLOLEXBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-16(5-2,15(19)20)11-14(18)17-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid?
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid is sourced from PubChem (CID 78948228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).