2-[(Dimethylamino)methyl]-2-methylbutanoic acid

C8H17NO2 — CID 62272124

IUPAC2-[(dimethylamino)methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5-8(2,7(10)11)6-9(3)4/h5-6H2,1-4H3,(H,10,11)
InChIKeySQGIINFWUSPFKA-UHFFFAOYSA-N
MW159.23 g/mol
LogP-1.20
Rot. Bonds4

About 2-[(Dimethylamino)methyl]-2-methylbutanoic acid

2-[(Dimethylamino)methyl]-2-methylbutanoic acid (PubChem CID 62272124) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(Dimethylamino)methyl]-2-methylbutanoic acid
PubChem CID62272124
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[(dimethylamino)methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5-8(2,7(10)11)6-9(3)4/h5-6H2,1-4H3,(H,10,11)
InChIKeySQGIINFWUSPFKA-UHFFFAOYSA-N
XLogP-1.20
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Dimethylamino)methyl]cyclopropane-1-carboxylic acid hydrochloride
CID 112756624
3-[(3,3-Dimethylbutyl)(methyl)amino]propanoic acid hydrochloride
CID 145874507
1-((Dimethylamino)methyl)cyclopropanecarboxylic acid
CID 23070141
CID 60986793
CID 60986793
N-Dimethylaminomethylaethylmalonsaure
CID 45071622
N-methyl-N-(beta-carboxyethyl)-gamma-amino-alpha-methylbutyric acid
CID 129881704
2-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055361
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055456
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62270138
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62271211
2-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62271766
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
CID 62271772

Frequently Asked Questions

What is the IUPAC name of 2-[(Dimethylamino)methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[(Dimethylamino)methyl]-2-methylbutanoic acid (CID 62272124) is 2-[(dimethylamino)methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(Dimethylamino)methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[(Dimethylamino)methyl]-2-methylbutanoic acid is CCC(C)(CN(C)C)C(=O)O.
What is the InChIKey of 2-[(Dimethylamino)methyl]-2-methylbutanoic acid?
The InChIKey is SQGIINFWUSPFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-8(2,7(10)11)6-9(3)4/h5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-[(Dimethylamino)methyl]-2-methylbutanoic acid?
2-[(Dimethylamino)methyl]-2-methylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Dimethylamino)methyl]-2-methylbutanoic acid is sourced from PubChem (CID 62272124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).