5-(dimethylamino)-4-oxopentanoic acid

C7H13NO3 — CID 121448648

IUPAC5-(dimethylamino)-4-oxopentanoic acid
SMILESCN(C)CC(=O)CCC(=O)O
InChIInChI=1S/C7H13NO3/c1-8(2)5-6(9)3-4-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyBENCWDWYFZHYFK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.02
Rot. Bonds5

About 5-(dimethylamino)-4-oxopentanoic acid

5-(dimethylamino)-4-oxopentanoic acid (PubChem CID 121448648) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-(dimethylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-4-oxopentanoic acid
PubChem CID121448648
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name5-(dimethylamino)-4-oxopentanoic acid
SMILESCN(C)CC(=O)CCC(=O)O
InChIInChI=1S/C7H13NO3/c1-8(2)5-6(9)3-4-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyBENCWDWYFZHYFK-UHFFFAOYSA-N
XLogP-0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(dimethylamino)-4-oxopentanoic acid (CID 121448648) is 5-(dimethylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(dimethylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(dimethylamino)-4-oxopentanoic acid is CN(C)CC(=O)CCC(=O)O.
What is the InChIKey of 5-(dimethylamino)-4-oxopentanoic acid?
The InChIKey is BENCWDWYFZHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8(2)5-6(9)3-4-7(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 5-(dimethylamino)-4-oxopentanoic acid?
5-(dimethylamino)-4-oxopentanoic acid has a molecular weight of 159.19 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-oxopentanoic acid is sourced from PubChem (CID 121448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).