3-(dipropylamino)oxy-3-oxopropanoic acid

C9H17NO4 — CID 19919367

IUPAC3-(dipropylamino)oxy-3-oxopropanoic acid
SMILESCCCN(CCC)OC(=O)CC(=O)O
InChIInChI=1S/C9H17NO4/c1-3-5-10(6-4-2)14-9(13)7-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyFBKPFBLWBPKYMH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.04
Rot. Bonds7

About 3-(dipropylamino)oxy-3-oxopropanoic acid

3-(dipropylamino)oxy-3-oxopropanoic acid (PubChem CID 19919367) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(dipropylamino)oxy-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(dipropylamino)oxy-3-oxopropanoic acid
PubChem CID19919367
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-(dipropylamino)oxy-3-oxopropanoic acid
SMILESCCCN(CCC)OC(=O)CC(=O)O
InChIInChI=1S/C9H17NO4/c1-3-5-10(6-4-2)14-9(13)7-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyFBKPFBLWBPKYMH-UHFFFAOYSA-N
XLogP1.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(dibutylamino) propanoate
CID 154448533
(dipropylamino) 2-methylprop-2-enoate
CID 54482611
ethane;3-methoxy-3-oxopropanoic acid
CID 91567189
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928
3-(3-methylpentan-3-yloxy)-3-oxopropanoic acid
CID 54570374
3-butoxy-3-oxopropanoic acid
CID 21201188
azane;3-ethoxy-3-oxopropanoic acid
CID 173322885
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
1-O-amino 3-O-(diethylamino) propanedioate
CID 174719636
acetic acid;3-methoxy-3-oxopropanoic acid
CID 162325440
3-butylperoxy-3-oxopropanoic acid
CID 87528892
3-oxo-3-(propylperoxymethoxy)propanoic acid
CID 20747704

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)oxy-3-oxopropanoic acid?
The IUPAC name of 3-(dipropylamino)oxy-3-oxopropanoic acid (CID 19919367) is 3-(dipropylamino)oxy-3-oxopropanoic acid.
What is the SMILES notation for 3-(dipropylamino)oxy-3-oxopropanoic acid?
The canonical SMILES for 3-(dipropylamino)oxy-3-oxopropanoic acid is CCCN(CCC)OC(=O)CC(=O)O.
What is the InChIKey of 3-(dipropylamino)oxy-3-oxopropanoic acid?
The InChIKey is FBKPFBLWBPKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-5-10(6-4-2)14-9(13)7-8(11)12/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-(dipropylamino)oxy-3-oxopropanoic acid?
3-(dipropylamino)oxy-3-oxopropanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)oxy-3-oxopropanoic acid is sourced from PubChem (CID 19919367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).