2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid

C20H24N2O5 — CID 143425304

IUPAC2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid
SMILESCc1cc(Oc2c(C)cc(CC(NC(=O)CN)C(=O)O)cc2C)ccc1O
InChIInChI=1S/C20H24N2O5/c1-11-8-15(4-5-17(11)23)27-19-12(2)6-14(7-13(19)3)9-16(20(25)26)22-18(24)10-21/h4-8,16,23H,9-10,21H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyYBDYZEGCOGLWQI-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.18
Rot. Bonds7

About 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid

2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid (PubChem CID 143425304) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid
PubChem CID143425304
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid
SMILESCc1cc(Oc2c(C)cc(CC(NC(=O)CN)C(=O)O)cc2C)ccc1O
InChIInChI=1S/C20H24N2O5/c1-11-8-15(4-5-17(11)23)27-19-12(2)6-14(7-13(19)3)9-16(20(25)26)22-18(24)10-21/h4-8,16,23H,9-10,21H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyYBDYZEGCOGLWQI-UHFFFAOYSA-N
XLogP2.18
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid with MolForge

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Related Compounds

(2R)-2-amino-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid;ethane
CID 143752224
(2S)-2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
CID 54024134
4-[4-(2-amino-3-hydroxypropyl)-2,6-dimethylphenoxy]-2-methylphenol
CID 123979679
ethane;2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]-N-phenylsulfanylacetamide
CID 144504775
3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]-2-(methylamino)propanoic acid
CID 138567846
2-formamido-N-[1-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propan-2-yl]butanediamide
CID 167263037
2-acetamido-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
CID 18628327
2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
CID 18961443
4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol
CID 144504856
(2S)-3-(4-hydroxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 57173897
N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504798
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid (CID 143425304) is 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid is Cc1cc(Oc2c(C)cc(CC(NC(=O)CN)C(=O)O)cc2C)ccc1O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid?
The InChIKey is YBDYZEGCOGLWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-11-8-15(4-5-17(11)23)27-19-12(2)6-14(7-13(19)3)9-16(20(25)26)22-18(24)10-21/h4-8,16,23H,9-10,21H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid?
2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid has a molecular weight of 372.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid is sourced from PubChem (CID 143425304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).