4-amino-2,4-dimethylpentanoic acid

C7H15NO2 — CID 20501045

IUPAC4-amino-2,4-dimethylpentanoic acid
SMILESCC(CC(C)(C)N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(6(9)10)4-7(2,3)8/h5H,4,8H2,1-3H3,(H,9,10)
InChIKeyRRXVTIKNINFEFS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds3

About 4-amino-2,4-dimethylpentanoic acid

4-amino-2,4-dimethylpentanoic acid (PubChem CID 20501045) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-amino-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name4-amino-2,4-dimethylpentanoic acid
PubChem CID20501045
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-amino-2,4-dimethylpentanoic acid
SMILESCC(CC(C)(C)N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(6(9)10)4-7(2,3)8/h5H,4,8H2,1-3H3,(H,9,10)
InChIKeyRRXVTIKNINFEFS-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-amino-2,4-dimethylpentanedioic acid
CID 87224787
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid
CID 90908022
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333
5-[3-(4-carboxy-2,2-dimethylpentanoyl)oxy-2,2-bis[(4-carboxy-2,2-dimethylpentanoyl)oxymethyl]propoxy]-2,4,4-trimethyl-5-oxopentanoic acid
CID 147380792
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
4-chloro-4,4-difluoro-2-methylbutanoic acid
CID 174293219

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,4-dimethylpentanoic acid?
The IUPAC name of 4-amino-2,4-dimethylpentanoic acid (CID 20501045) is 4-amino-2,4-dimethylpentanoic acid.
What is the SMILES notation for 4-amino-2,4-dimethylpentanoic acid?
The canonical SMILES for 4-amino-2,4-dimethylpentanoic acid is CC(CC(C)(C)N)C(=O)O.
What is the InChIKey of 4-amino-2,4-dimethylpentanoic acid?
The InChIKey is RRXVTIKNINFEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(6(9)10)4-7(2,3)8/h5H,4,8H2,1-3H3,(H,9,10).
What are the key properties of 4-amino-2,4-dimethylpentanoic acid?
4-amino-2,4-dimethylpentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,4-dimethylpentanoic acid is sourced from PubChem (CID 20501045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).