2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid

C13H20N2O3 — CID 116942305

IUPAC2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
SMILESCOc1c(C)c(C)cc(C)c1C(N)C(N)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-6-5-7(2)9(12(18-4)8(6)3)10(14)11(15)13(16)17/h5,10-11H,14-15H2,1-4H3,(H,16,17)
InChIKeyGZYILZVRMIWYMV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.03
Rot. Bonds4

About 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid

2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid (PubChem CID 116942305) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
PubChem CID116942305
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
SMILESCOc1c(C)c(C)cc(C)c1C(N)C(N)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-6-5-7(2)9(12(18-4)8(6)3)10(14)11(15)13(16)17/h5,10-11H,14-15H2,1-4H3,(H,16,17)
InChIKeyGZYILZVRMIWYMV-UHFFFAOYSA-N
XLogP1.03
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116957436
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid (CID 116942305) is 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid is COc1c(C)c(C)cc(C)c1C(N)C(N)C(=O)O.
What is the InChIKey of 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid?
The InChIKey is GZYILZVRMIWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-6-5-7(2)9(12(18-4)8(6)3)10(14)11(15)13(16)17/h5,10-11H,14-15H2,1-4H3,(H,16,17).
What are the key properties of 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid?
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 116942305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).