3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide

C12H18N4O4 — CID 134511157

IUPAC3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide
SMILESNC(=O)CCN(CCC(N)=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N4O4/c13-9(17)3-5-15(6-4-10(14)18)7-8-16-11(19)1-2-12(16)20/h1-2H,3-8H2,(H2,13,17)(H2,14,18)
InChIKeyUXTVAZMGJTUSSH-UHFFFAOYSA-N
MW282.30 g/mol
LogP-2.04
Rot. Bonds9

About 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide

3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide (PubChem CID 134511157) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide
PubChem CID134511157
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide
SMILESNC(=O)CCN(CCC(N)=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N4O4/c13-9(17)3-5-15(6-4-10(14)18)7-8-16-11(19)1-2-12(16)20/h1-2H,3-8H2,(H2,13,17)(H2,14,18)
InChIKeyUXTVAZMGJTUSSH-UHFFFAOYSA-N
XLogP-2.04
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide (CID 134511157) is 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide is NC(=O)CCN(CCC(N)=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide?
The InChIKey is UXTVAZMGJTUSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c13-9(17)3-5-15(6-4-10(14)18)7-8-16-11(19)1-2-12(16)20/h1-2H,3-8H2,(H2,13,17)(H2,14,18).
What are the key properties of 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide?
3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide has a molecular weight of 282.30 g/mol, XLogP of -2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide is sourced from PubChem (CID 134511157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).