2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid

C11H16N2O4 — CID 116942209

IUPAC2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(C(N)C(N)C(=O)O)c(OC)c1
InChIInChI=1S/C11H16N2O4/c1-16-6-3-4-7(8(5-6)17-2)9(12)10(13)11(14)15/h3-5,9-10H,12-13H2,1-2H3,(H,14,15)
InChIKeyGSDYKJVBJZLPML-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.12
Rot. Bonds5

About 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid

2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid (PubChem CID 116942209) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
PubChem CID116942209
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(C(N)C(N)C(=O)O)c(OC)c1
InChIInChI=1S/C11H16N2O4/c1-16-6-3-4-7(8(5-6)17-2)9(12)10(13)11(14)15/h3-5,9-10H,12-13H2,1-2H3,(H,14,15)
InChIKeyGSDYKJVBJZLPML-UHFFFAOYSA-N
XLogP0.12
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724315
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid
CID 67568099
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid (CID 116942209) is 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid is COc1ccc(C(N)C(N)C(=O)O)c(OC)c1.
What is the InChIKey of 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid?
The InChIKey is GSDYKJVBJZLPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-6-3-4-7(8(5-6)17-2)9(12)10(13)11(14)15/h3-5,9-10H,12-13H2,1-2H3,(H,14,15).
What are the key properties of 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid?
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 116942209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).