N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide

C10H14N4O4 — CID 123393531

IUPACN-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide
SMILESCC(C(=O)NN(C=O)CCN)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N4O4/c1-7(14-8(16)2-3-9(14)17)10(18)12-13(6-15)5-4-11/h2-3,6-7H,4-5,11H2,1H3,(H,12,18)
InChIKeyGTEWUKYIIMOBID-UHFFFAOYSA-N
MW254.25 g/mol
LogP-2.25
Rot. Bonds6

About N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide

N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide (PubChem CID 123393531) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide
PubChem CID123393531
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide
SMILESCC(C(=O)NN(C=O)CCN)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N4O4/c1-7(14-8(16)2-3-9(14)17)10(18)12-13(6-15)5-4-11/h2-3,6-7H,4-5,11H2,1H3,(H,12,18)
InChIKeyGTEWUKYIIMOBID-UHFFFAOYSA-N
XLogP-2.25
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide
CID 66836198
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide;hydrochloride
CID 71431300
2-(2,5-dioxopyrrol-1-yl)-N'-methylacetohydrazide
CID 132082721
3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
CID 142493347
(2S)-2-[[2-[(2,5-dioxopyrrol-1-yl)amino]acetyl]-methylamino]-3-methylbutanamide
CID 146203963
(Z)-N-[2-(2-formylhydrazinyl)-2-oxoethyl]-N-methyl-4-oxobut-2-enamide
CID 166810967
2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide
CID 175805177
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63373929
2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66062120

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide?
The IUPAC name of N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide (CID 123393531) is N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide?
The canonical SMILES for N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide is CC(C(=O)NN(C=O)CCN)N1C(=O)C=CC1=O.
What is the InChIKey of N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide?
The InChIKey is GTEWUKYIIMOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-7(14-8(16)2-3-9(14)17)10(18)12-13(6-15)5-4-11/h2-3,6-7H,4-5,11H2,1H3,(H,12,18).
What are the key properties of N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide?
N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide has a molecular weight of 254.25 g/mol, XLogP of -2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide is sourced from PubChem (CID 123393531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).