ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate

C14H20N2O4 — CID 76905411

IUPACethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-20-14(19)9(2)16-13(18)12(15)8-10-4-6-11(17)7-5-10/h4-7,9,12,17H,3,8,15H2,1-2H3,(H,16,18)
InChIKeyQBWKRHRNHDWAJG-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.33
Rot. Bonds6

About ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate

ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate (PubChem CID 76905411) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
PubChem CID76905411
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-20-14(19)9(2)16-13(18)12(15)8-10-4-6-11(17)7-5-10/h4-7,9,12,17H,3,8,15H2,1-2H3,(H,16,18)
InChIKeyQBWKRHRNHDWAJG-UHFFFAOYSA-N
XLogP0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate 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-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 10093280
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192
methyl 2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]propanoate
CID 3840758
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
(3S)-3-amino-4-[[(2S)-1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;hydrochloride
CID 70635998
[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino] ethyl carbonate
CID 175392655
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 71379751
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 71379764
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
CID 22215051
2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 19950204

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate (CID 76905411) is ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate is CCOC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate?
The InChIKey is QBWKRHRNHDWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-14(19)9(2)16-13(18)12(15)8-10-4-6-11(17)7-5-10/h4-7,9,12,17H,3,8,15H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate?
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate has a molecular weight of 280.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate is sourced from PubChem (CID 76905411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).