4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid

C14H20N2O5 — CID 77110984

IUPAC4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)C(N)Cc1ccc(O)cc1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-14(21,7-12(18)19)8-16-13(20)11(15)6-9-2-4-10(17)5-3-9/h2-5,11,17,21H,6-8,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyAFJZIVWVLMBHKX-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.40
Rot. Bonds7

About 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid

4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 77110984) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID77110984
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)C(N)Cc1ccc(O)cc1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-14(21,7-12(18)19)8-16-13(20)11(15)6-9-2-4-10(17)5-3-9/h2-5,11,17,21H,6-8,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyAFJZIVWVLMBHKX-UHFFFAOYSA-N
XLogP-0.40
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic 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

2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106292177
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
CID 104904566
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
CID 5060023
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid (CID 77110984) is 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)C(N)Cc1ccc(O)cc1)CC(=O)O.
What is the InChIKey of 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is AFJZIVWVLMBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(21,7-12(18)19)8-16-13(20)11(15)6-9-2-4-10(17)5-3-9/h2-5,11,17,21H,6-8,15H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid?
4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 296.32 g/mol, XLogP of -0.40, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 77110984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).