3-amino-4,4-dimethylpentanoic acid

C7H15NO2 — CID 2733733

IUPAC3-amino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(N)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKeyMIMSUZKTGRXZNZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds2

About 3-amino-4,4-dimethylpentanoic acid

3-amino-4,4-dimethylpentanoic acid (PubChem CID 2733733) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-amino-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-amino-4,4-dimethylpentanoic acid
PubChem CID2733733
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-amino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(N)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKeyMIMSUZKTGRXZNZ-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-beta-leucine
CID 439734
(3R)-beta-Leucine
CID 2761558
Beta-Leucine
CID 193411
2-Amino-3-tert-butylpropionic acid
CID 351627
(3S)-3-azaniumyl-4-methylpentanoate
CID 6934189
3-Aminopentanoic acid
CID 14731978
(3R)-3-azaniumyl-4-methylpentanoate
CID 6934188
(2S)-2-Amino-4,4-dimethylpentanoic acid
CID 194032
(S)-3-Aminopentanoic acid
CID 11320932
(3R)-3-Aminopentanoic acid
CID 14731979
3-Amino-5,5-dimethylhexanoic acid
CID 10397086
(S)-3-Amino-5,5-dimethylhexanoic acid
CID 11819317

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethylpentanoic acid?
The IUPAC name of 3-amino-4,4-dimethylpentanoic acid (CID 2733733) is 3-amino-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-amino-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-amino-4,4-dimethylpentanoic acid is CC(C)(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4,4-dimethylpentanoic acid?
The InChIKey is MIMSUZKTGRXZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10).
What are the key properties of 3-amino-4,4-dimethylpentanoic acid?
3-amino-4,4-dimethylpentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethylpentanoic acid is sourced from PubChem (CID 2733733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).