2-amino-3-[3-(dimethylamino)anilino]propanoic acid

C11H17N3O2 — CID 103260466

IUPAC2-amino-3-[3-(dimethylamino)anilino]propanoic acid
SMILESCN(C)c1cccc(NCC(N)C(=O)O)c1
InChIInChI=1S/C11H17N3O2/c1-14(2)9-5-3-4-8(6-9)13-7-10(12)11(15)16/h3-6,10,13H,7,12H2,1-2H3,(H,15,16)
InChIKeyIITHZBLRQDBPMZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-3-[3-(dimethylamino)anilino]propanoic acid

2-amino-3-[3-(dimethylamino)anilino]propanoic acid (PubChem CID 103260466) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-3-[3-(dimethylamino)anilino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(dimethylamino)anilino]propanoic acid
PubChem CID103260466
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-3-[3-(dimethylamino)anilino]propanoic acid
SMILESCN(C)c1cccc(NCC(N)C(=O)O)c1
InChIInChI=1S/C11H17N3O2/c1-14(2)9-5-3-4-8(6-9)13-7-10(12)11(15)16/h3-6,10,13H,7,12H2,1-2H3,(H,15,16)
InChIKeyIITHZBLRQDBPMZ-UHFFFAOYSA-N
XLogP0.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-3-[3-(dimethylamino)anilino]propanoate
CID 103260461
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775
2-amino-3-(3-ethynylanilino)propanoic acid
CID 103230642
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
CID 114281857
(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
2-[3-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 78914085
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
2-[[3-(dimethylamino)anilino]methyl]prop-2-enoic acid
CID 103260479
(2S)-2-amino-N-[3-(dimethylamino)phenyl]butanediamide
CID 110482736
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(dimethylamino)anilino]propanoic acid?
The IUPAC name of 2-amino-3-[3-(dimethylamino)anilino]propanoic acid (CID 103260466) is 2-amino-3-[3-(dimethylamino)anilino]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(dimethylamino)anilino]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(dimethylamino)anilino]propanoic acid is CN(C)c1cccc(NCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[3-(dimethylamino)anilino]propanoic acid?
The InChIKey is IITHZBLRQDBPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(2)9-5-3-4-8(6-9)13-7-10(12)11(15)16/h3-6,10,13H,7,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[3-(dimethylamino)anilino]propanoic acid?
2-amino-3-[3-(dimethylamino)anilino]propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(dimethylamino)anilino]propanoic acid is sourced from PubChem (CID 103260466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).