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

C10H21NO2 — CID 58066359

IUPAC3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-11(7-6-9(12)13)8-10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyBBZDOXRDSLDXOV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds5

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

3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid (PubChem CID 58066359) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
PubChem CID58066359
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-11(7-6-9(12)13)8-10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyBBZDOXRDSLDXOV-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 3-[2,2-dimethylpropyl(ethyl)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

4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid
CID 171658898
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
N,N-diethyl-2,2-dimethylpropan-1-amine;propane
CID 159791280
3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061319
3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid
CID 173464158
3-[2,2-dimethylpropyl-[2-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 119135562
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
CID 55209592

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid (CID 58066359) is 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid is CCN(CCC(=O)O)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid?
The InChIKey is BBZDOXRDSLDXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11(7-6-9(12)13)8-10(2,3)4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid?
3-[2,2-dimethylpropyl(ethyl)amino]propanoic 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 3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 58066359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).