2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid

C10H23N3O2 — CID 64583232

IUPAC2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid
SMILESCN(C)CC(C)(C)CNCC(N)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-10(2,7-13(3)4)6-12-5-8(11)9(14)15/h8,12H,5-7,11H2,1-4H3,(H,14,15)
InChIKeyVMEGIGWGIVYXCM-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.42
Rot. Bonds7

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

2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid (PubChem CID 64583232) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid
PubChem CID64583232
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid
SMILESCN(C)CC(C)(C)CNCC(N)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-10(2,7-13(3)4)6-12-5-8(11)9(14)15/h8,12H,5-7,11H2,1-4H3,(H,14,15)
InChIKeyVMEGIGWGIVYXCM-UHFFFAOYSA-N
XLogP-0.42
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572507
2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106278540
(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
CID 103813226
2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
CID 106257307
2-amino-3-(2,2-dimethylhydrazinyl)propanoic acid
CID 83024526
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine
CID 28613575
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanamide
CID 43086297
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
CID 62474428
N-butan-2-yl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 43179646

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid (CID 64583232) is 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid is CN(C)CC(C)(C)CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid?
The InChIKey is VMEGIGWGIVYXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2,7-13(3)4)6-12-5-8(11)9(14)15/h8,12H,5-7,11H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid?
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid has a molecular weight of 217.31 g/mol, XLogP of -0.42, 7 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)-2,2-dimethylpropyl]amino]propanoic acid is sourced from PubChem (CID 64583232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).