3-[(3-amino-3-oxopropyl)-ethylamino]propanamide

C8H17N3O2 — CID 71325381

IUPAC3-[(3-amino-3-oxopropyl)-ethylamino]propanamide
SMILESCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C8H17N3O2/c1-2-11(5-3-7(9)12)6-4-8(10)13/h2-6H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyVWKNGPHTCHSPSB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.94
Rot. Bonds7

About 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide

3-[(3-amino-3-oxopropyl)-ethylamino]propanamide (PubChem CID 71325381) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-ethylamino]propanamide
PubChem CID71325381
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-[(3-amino-3-oxopropyl)-ethylamino]propanamide
SMILESCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C8H17N3O2/c1-2-11(5-3-7(9)12)6-4-8(10)13/h2-6H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyVWKNGPHTCHSPSB-UHFFFAOYSA-N
XLogP-0.94
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide (CID 71325381) is 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide is CCN(CCC(N)=O)CCC(N)=O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide?
The InChIKey is VWKNGPHTCHSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-11(5-3-7(9)12)6-4-8(10)13/h2-6H2,1H3,(H2,9,12)(H2,10,13).
What are the key properties of 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide?
3-[(3-amino-3-oxopropyl)-ethylamino]propanamide has a molecular weight of 187.24 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-ethylamino]propanamide is sourced from PubChem (CID 71325381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).