4-[2,2-dimethylpropyl(methyl)amino]butanoic acid

C10H21NO2 — CID 58066360

IUPAC4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)8-11(4)7-5-6-9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyLCGNDDTUEMEXRP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds5

About 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid

4-[2,2-dimethylpropyl(methyl)amino]butanoic acid (PubChem CID 58066360) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
PubChem CID58066360
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)8-11(4)7-5-6-9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyLCGNDDTUEMEXRP-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2,2-dimethylpropyl(methyl)amino]butanoic 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

4-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63583890
4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
4-[(5-cyano-5-methylhexyl)-methylamino]butanoic acid
CID 106713187
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid
CID 62698830
4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
CID 119135308
4-[methyl(2-sulfamoylethyl)amino]butanoic acid
CID 114385348
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
CID 58066359
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid (CID 58066360) is 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)CC(C)(C)C.
What is the InChIKey of 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
The InChIKey is LCGNDDTUEMEXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)8-11(4)7-5-6-9(12)13/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 58066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).