[2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid

C13H23F3N2O5 — CID 86663346

IUPAC[2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid
SMILESCCCN(CCC)C(=O)COC(=O)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O3.C2HF3O2/c1-3-7-13(8-4-2)10(14)9-16-11(15)5-6-12;3-2(4,5)1(6)7/h3-9,12H2,1-2H3;(H,6,7)
InChIKeyKEDIGRSSRFJXOS-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.16
Rot. Bonds8

About [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid

[2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid (PubChem CID 86663346) has the molecular formula C13H23F3N2O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid
PubChem CID86663346
Molecular FormulaC13H23F3N2O5
Molecular Weight344.33 g/mol
Exact Mass344.16
IUPAC Name[2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid
SMILESCCCN(CCC)C(=O)COC(=O)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O3.C2HF3O2/c1-3-7-13(8-4-2)10(14)9-16-11(15)5-6-12;3-2(4,5)1(6)7/h3-9,12H2,1-2H3;(H,6,7)
InChIKeyKEDIGRSSRFJXOS-UHFFFAOYSA-N
XLogP1.16
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid (CID 86663346) is [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid is CCCN(CCC)C(=O)COC(=O)CCN.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid?
The InChIKey is KEDIGRSSRFJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.C2HF3O2/c1-3-7-13(8-4-2)10(14)9-16-11(15)5-6-12;3-2(4,5)1(6)7/h3-9,12H2,1-2H3;(H,6,7).
What are the key properties of [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid?
[2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid has a molecular weight of 344.33 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86663346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).