(3R)-3-amino-4,4-dimethylpentanoic acid

C7H15NO2 — CID 7010080

IUPAC(3R)-3-amino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)[C@H](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)/t5-/m1/s1
InChIKeyMIMSUZKTGRXZNZ-RXMQYKEDSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds2

About (3R)-3-amino-4,4-dimethylpentanoic acid

(3R)-3-amino-4,4-dimethylpentanoic acid (PubChem CID 7010080) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3R)-3-amino-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4,4-dimethylpentanoic acid
PubChem CID7010080
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3R)-3-amino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)[C@H](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)/t5-/m1/s1
InChIKeyMIMSUZKTGRXZNZ-RXMQYKEDSA-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

Analyze (3R)-3-amino-4,4-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-beta-leucine
CID 439734
(3R)-beta-Leucine
CID 2761558
(3S)-3-azaniumyl-4-methylpentanoate
CID 6934189
2-Amino-3-tert-butylpropionic acid
CID 351627
Beta-Leucine
CID 193411
3-Aminopentanoic acid
CID 14731978
(3R)-3-azaniumyl-4-methylpentanoate
CID 6934188
(2S)-2-Amino-4,4-dimethylpentanoic acid
CID 194032
3-Amino-4,4-dimethylpentanoic acid
CID 2733733
(S)-3-Aminopentanoic acid
CID 11320932
(3R)-3-Aminopentanoic acid
CID 14731979
3-Amino-5,5-dimethylhexanoic acid
CID 10397086

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4,4-dimethylpentanoic acid?
The IUPAC name of (3R)-3-amino-4,4-dimethylpentanoic acid (CID 7010080) is (3R)-3-amino-4,4-dimethylpentanoic acid.
What is the SMILES notation for (3R)-3-amino-4,4-dimethylpentanoic acid?
The canonical SMILES for (3R)-3-amino-4,4-dimethylpentanoic acid is CC(C)(C)[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-4,4-dimethylpentanoic acid?
The InChIKey is MIMSUZKTGRXZNZ-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-4,4-dimethylpentanoic acid?
(3R)-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 (3R)-3-amino-4,4-dimethylpentanoic acid is sourced from PubChem (CID 7010080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).