2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

C12H17N5O5 — CID 90385948

IUPAC2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N5O5/c13-5-8(18)15-7-10(20)16-6-9(19)14-3-4-17-11(21)1-2-12(17)22/h1-2H,3-7,13H2,(H,14,19)(H,15,18)(H,16,20)
InChIKeyISGYDLSCCCEJAW-UHFFFAOYSA-N
MW311.30 g/mol
LogP-3.78
Rot. Bonds8

About 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (PubChem CID 90385948) has the molecular formula C12H17N5O5 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
PubChem CID90385948
Molecular FormulaC12H17N5O5
Molecular Weight311.30 g/mol
Exact Mass311.12
IUPAC Name2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N5O5/c13-5-8(18)15-7-10(20)16-6-9(19)14-3-4-17-11(21)1-2-12(17)22/h1-2H,3-7,13H2,(H,14,19)(H,15,18)(H,16,20)
InChIKeyISGYDLSCCCEJAW-UHFFFAOYSA-N
XLogP-3.78
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-3.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (CID 90385948) is 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is ISGYDLSCCCEJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O5/c13-5-8(18)15-7-10(20)16-6-9(19)14-3-4-17-11(21)1-2-12(17)22/h1-2H,3-7,13H2,(H,14,19)(H,15,18)(H,16,20).
What are the key properties of 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 311.30 g/mol, XLogP of -3.78, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 90385948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).