[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate

C12H23N3O3 — CID 155713773

IUPAC[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate
SMILESCNC(=O)C(N)COC(=O)CCN1CCCCC1
InChIInChI=1S/C12H23N3O3/c1-14-12(17)10(13)9-18-11(16)5-8-15-6-3-2-4-7-15/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyQUAPIQHYUOUKPX-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate

[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate (PubChem CID 155713773) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Name[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate
PubChem CID155713773
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate
SMILESCNC(=O)C(N)COC(=O)CCN1CCCCC1
InChIInChI=1S/C12H23N3O3/c1-14-12(17)10(13)9-18-11(16)5-8-15-6-3-2-4-7-15/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyQUAPIQHYUOUKPX-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate?
The IUPAC name of [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate (CID 155713773) is [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate.
What is the SMILES notation for [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate?
The canonical SMILES for [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate is CNC(=O)C(N)COC(=O)CCN1CCCCC1.
What is the InChIKey of [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate?
The InChIKey is QUAPIQHYUOUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14-12(17)10(13)9-18-11(16)5-8-15-6-3-2-4-7-15/h10H,2-9,13H2,1H3,(H,14,17).
What are the key properties of [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate?
[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate has a molecular weight of 257.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 155713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).