2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid

C10H21NO2 — CID 22683291

IUPAC2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-7-11(9(2,3)4)10(5,6)8(12)13/h7H2,1-6H3,(H,12,13)
InChIKeyLKJYALPYQVOSOP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.97
Rot. Bonds3

About 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid

2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 22683291) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID22683291
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-7-11(9(2,3)4)10(5,6)8(12)13/h7H2,1-6H3,(H,12,13)
InChIKeyLKJYALPYQVOSOP-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylalanine
CID 5488191
N,N-Bis(carboxymethyl)alanine
CID 425415
2,2-Dimethylnitrilotriacetate
CID 3082043
N,N-Dipropyl-L-alanine
CID 14274716
(2R)-2-(dimethylamino)propanoic acid
CID 151045
2-(Dimethylamino)-2-methylpropanoic acid hydrochloride
CID 13370336
(2R)-2-(diethylamino)propanoic acid
CID 15115621
2-Methyl-2-(pyrrolidin-1-yl)propanoic acid hydrochloride
CID 46736954
Trimethylalanine
CID 151418
Carboxymethyl(triethyl)azanium
CID 11298121
2-Dimethylamino-propionic acid
CID 11788290
Methylglycine diacetic acid
CID 18656106

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid (CID 22683291) is 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid is CCN(C(C)(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is LKJYALPYQVOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7-11(9(2,3)4)10(5,6)8(12)13/h7H2,1-6H3,(H,12,13).
What are the key properties of 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid?
2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 22683291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).