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

C11H23NO2 — CID 65061319

IUPAC3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(8-11(3,4)5)7-9(2)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyFCROTHPQQHBKSH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.08
Rot. Bonds5

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

3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 65061319) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID65061319
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(8-11(3,4)5)7-9(2)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyFCROTHPQQHBKSH-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
3-[(3-cyano-3-methylbutyl)-ethylamino]-2-methylpropanoic acid
CID 65250416
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-[ethyl(3-methylbut-2-enyl)amino]-2-methylpropanoic acid
CID 62853147
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
3-[3-chloroprop-2-enyl(ethyl)amino]-2-methylpropanoic acid
CID 76950809
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 62852602
3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
CID 58066359
3-[3-(diethylamino)propyl-prop-2-enylamino]-2-methylpropanoic acid
CID 82328033
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
3-[ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55122915

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid (CID 65061319) is 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is FCROTHPQQHBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(8-11(3,4)5)7-9(2)10(13)14/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid?
3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.08, 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]-2-methylpropanoic acid is sourced from PubChem (CID 65061319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).