2-amino-3-(3,4-dimethylanilino)propanoic acid

C11H16N2O2 — CID 103234153

IUPAC2-amino-3-(3,4-dimethylanilino)propanoic acid
SMILESCc1ccc(NCC(N)C(=O)O)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(5-8(7)2)13-6-10(12)11(14)15/h3-5,10,13H,6,12H2,1-2H3,(H,14,15)
InChIKeySDQVCNOEGKAVFB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-3-(3,4-dimethylanilino)propanoic acid

2-amino-3-(3,4-dimethylanilino)propanoic acid (PubChem CID 103234153) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylanilino)propanoic acid
PubChem CID103234153
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-3-(3,4-dimethylanilino)propanoic acid
SMILESCc1ccc(NCC(N)C(=O)O)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(5-8(7)2)13-6-10(12)11(14)15/h3-5,10,13H,6,12H2,1-2H3,(H,14,15)
InChIKeySDQVCNOEGKAVFB-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
2-amino-3-(4-propan-2-ylanilino)propanoic acid
CID 103233337
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
CID 103234166
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775
2-(3,4-dimethylanilino)acetamide
CID 28580413
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylanilino)propanoic acid?
The IUPAC name of 2-amino-3-(3,4-dimethylanilino)propanoic acid (CID 103234153) is 2-amino-3-(3,4-dimethylanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,4-dimethylanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(3,4-dimethylanilino)propanoic acid is Cc1ccc(NCC(N)C(=O)O)cc1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylanilino)propanoic acid?
The InChIKey is SDQVCNOEGKAVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-4-9(5-8(7)2)13-6-10(12)11(14)15/h3-5,10,13H,6,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(3,4-dimethylanilino)propanoic acid?
2-amino-3-(3,4-dimethylanilino)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylanilino)propanoic acid is sourced from PubChem (CID 103234153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).