3-amino-2-(dimethylamino)-2-methylpentanoic acid

C8H18N2O2 — CID 174424102

IUPAC3-amino-2-(dimethylamino)-2-methylpentanoic acid
SMILESCCC(N)C(C)(C(=O)O)N(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6(9)8(2,7(11)12)10(3)4/h6H,5,9H2,1-4H3,(H,11,12)
InChIKeyDJZWUTDTPTVEHB-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.13
Rot. Bonds4

About 3-amino-2-(dimethylamino)-2-methylpentanoic acid

3-amino-2-(dimethylamino)-2-methylpentanoic acid (PubChem CID 174424102) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-2-(dimethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name3-amino-2-(dimethylamino)-2-methylpentanoic acid
PubChem CID174424102
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-2-(dimethylamino)-2-methylpentanoic acid
SMILESCCC(N)C(C)(C(=O)O)N(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6(9)8(2,7(11)12)10(3)4/h6H,5,9H2,1-4H3,(H,11,12)
InChIKeyDJZWUTDTPTVEHB-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(dimethylamino)-2-methylpentanoic acid?
The IUPAC name of 3-amino-2-(dimethylamino)-2-methylpentanoic acid (CID 174424102) is 3-amino-2-(dimethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 3-amino-2-(dimethylamino)-2-methylpentanoic acid?
The canonical SMILES for 3-amino-2-(dimethylamino)-2-methylpentanoic acid is CCC(N)C(C)(C(=O)O)N(C)C.
What is the InChIKey of 3-amino-2-(dimethylamino)-2-methylpentanoic acid?
The InChIKey is DJZWUTDTPTVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-6(9)8(2,7(11)12)10(3)4/h6H,5,9H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-2-(dimethylamino)-2-methylpentanoic acid?
3-amino-2-(dimethylamino)-2-methylpentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(dimethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 174424102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).