N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide

C9H14N4O4 — CID 59882823

IUPACN-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide
SMILES[H]/N=C/C(=O)CNC(=O)CC(=O)NCC(=O)NC
InChIInChI=1S/C9H14N4O4/c1-11-9(17)5-13-8(16)2-7(15)12-4-6(14)3-10/h3,10H,2,4-5H2,1H3,(H,11,17)(H,12,15)(H,13,16)/b10-3+
InChIKeyWWIHURJFUIMPRU-XCVCLJGOSA-N
MW242.23 g/mol
LogP-2.43
Rot. Bonds7

About N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide

N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide (PubChem CID 59882823) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide.

Molecular Properties

Compound NameN-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide
PubChem CID59882823
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC NameN-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide
SMILES[H]/N=C/C(=O)CNC(=O)CC(=O)NCC(=O)NC
InChIInChI=1S/C9H14N4O4/c1-11-9(17)5-13-8(16)2-7(15)12-4-6(14)3-10/h3,10H,2,4-5H2,1H3,(H,11,17)(H,12,15)(H,13,16)/b10-3+
InChIKeyWWIHURJFUIMPRU-XCVCLJGOSA-N
XLogP-2.43
TPSA128.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide?
The IUPAC name of N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide (CID 59882823) is N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide.
What is the SMILES notation for N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide?
The canonical SMILES for N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide is [H]/N=C/C(=O)CNC(=O)CC(=O)NCC(=O)NC.
What is the InChIKey of N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide?
The InChIKey is WWIHURJFUIMPRU-XCVCLJGOSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-11-9(17)5-13-8(16)2-7(15)12-4-6(14)3-10/h3,10H,2,4-5H2,1H3,(H,11,17)(H,12,15)(H,13,16)/b10-3+.
What are the key properties of N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide?
N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide has a molecular weight of 242.23 g/mol, XLogP of -2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imino-2-oxopropyl)-N'-[2-(methylamino)-2-oxoethyl]propanediamide is sourced from PubChem (CID 59882823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).