2,2-dimethyl-4-(methylamino)butanoic acid

C7H15NO2 — CID 20643468

IUPAC2,2-dimethyl-4-(methylamino)butanoic acid
SMILESCNCCC(C)(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,6(9)10)4-5-8-3/h8H,4-5H2,1-3H3,(H,9,10)
InChIKeyUIARYPVJCWRMBP-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds4

About 2,2-dimethyl-4-(methylamino)butanoic acid

2,2-dimethyl-4-(methylamino)butanoic acid (PubChem CID 20643468) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,2-dimethyl-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(methylamino)butanoic acid
PubChem CID20643468
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2,2-dimethyl-4-(methylamino)butanoic acid
SMILESCNCCC(C)(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,6(9)10)4-5-8-3/h8H,4-5H2,1-3H3,(H,9,10)
InChIKeyUIARYPVJCWRMBP-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-3,3-dimethylbutanoic acid hydrochloride
CID 14435435
4-(Methylamino)butyric acid
CID 70703
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-Amino-3,3-dimethylbutanoic acid
CID 910834
3-Azetidineacetic acid
CID 11768547
4-Amino-2,2-dimethylbutanoic acid hydrochloride
CID 42614145
4-(Ethylamino)butanoic acid hydrochloride
CID 71357190
4-Amino-2-aminomethyl-2-methyl-butyric acid
CID 10749321
4-(Isopropylamino)butanoic acid
CID 317001
4-Amino-2,2-dimethylbutanoic acid
CID 1502029
4-(Propylamino)butanoic acid
CID 16769183
3-Isobutyl-g-aminobutyric acid
CID 18071581

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(methylamino)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(methylamino)butanoic acid (CID 20643468) is 2,2-dimethyl-4-(methylamino)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(methylamino)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(methylamino)butanoic acid is CNCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(methylamino)butanoic acid?
The InChIKey is UIARYPVJCWRMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,6(9)10)4-5-8-3/h8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2,2-dimethyl-4-(methylamino)butanoic acid?
2,2-dimethyl-4-(methylamino)butanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(methylamino)butanoic acid is sourced from PubChem (CID 20643468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).