2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid

C14H20N2O5 — CID 62478128

IUPAC2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)/t11-,12?/m0/s1
InChIKeySJSBNRRVNSNYMB-PXYINDEMSA-N
MW296.32 g/mol
LogP-0.13
Rot. Bonds8

About 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid

2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid (PubChem CID 62478128) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid
PubChem CID62478128
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)/t11-,12?/m0/s1
InChIKeySJSBNRRVNSNYMB-PXYINDEMSA-N
XLogP-0.13
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic 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

(2R)-2-[(2-amino-3-methoxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 104905658
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 66766651
2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18231946
2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 19954187
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 18232038
methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoate;hydrobromide
CID 70618594
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 103870708
(2R)-2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 103870745
(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 102142469
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18223402

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid (CID 62478128) is 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid?
The InChIKey is SJSBNRRVNSNYMB-PXYINDEMSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)/t11-,12?/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid?
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid has a molecular weight of 296.32 g/mol, XLogP of -0.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).