3-(dimethylamino)pentanoic acid

C7H15NO2 — CID 15009991

IUPAC3-(dimethylamino)pentanoic acid
SMILESCCC(CC(=O)O)N(C)C
InChIInChI=1S/C7H15NO2/c1-4-6(8(2)3)5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyDTRROSDQTBXJMG-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds4

About 3-(dimethylamino)pentanoic acid

3-(dimethylamino)pentanoic acid (PubChem CID 15009991) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(dimethylamino)pentanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)pentanoic acid
PubChem CID15009991
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(dimethylamino)pentanoic acid
SMILESCCC(CC(=O)O)N(C)C
InChIInChI=1S/C7H15NO2/c1-4-6(8(2)3)5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyDTRROSDQTBXJMG-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)pentanoic acid?
The IUPAC name of 3-(dimethylamino)pentanoic acid (CID 15009991) is 3-(dimethylamino)pentanoic acid.
What is the SMILES notation for 3-(dimethylamino)pentanoic acid?
The canonical SMILES for 3-(dimethylamino)pentanoic acid is CCC(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)pentanoic acid?
The InChIKey is DTRROSDQTBXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6(8(2)3)5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 3-(dimethylamino)pentanoic acid?
3-(dimethylamino)pentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)pentanoic acid is sourced from PubChem (CID 15009991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).