(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate

C11H15N5O5 — CID 154963897

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate
SMILES[N-]=[N+]=NCCC(=O)CNCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15N5O5/c12-15-14-6-3-8(17)7-13-5-4-11(20)21-16-9(18)1-2-10(16)19/h13H,1-7H2
InChIKeyHMINZCDPJYOBGW-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.16
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate (PubChem CID 154963897) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate
PubChem CID154963897
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate
SMILES[N-]=[N+]=NCCC(=O)CNCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15N5O5/c12-15-14-6-3-8(17)7-13-5-4-11(20)21-16-9(18)1-2-10(16)19/h13H,1-7H2
InChIKeyHMINZCDPJYOBGW-UHFFFAOYSA-N
XLogP-0.16
TPSA141.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate
CID 155887418
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
CID 141275620
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate
CID 58473285
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(3-bromo-2-oxopropyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 87261762
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172948582
(2,5-dioxopyrrolidin-1-yl) 3-[[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-4-oxohexyl]disulfanyl]propanoate
CID 159264268
(2,5-dioxopyrrolidin-1-yl) 4-[2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoyl-[2-[2-(2-azidoethoxy)ethoxy]ethyl]amino]ethylamino]-4-oxobutanoate
CID 176817145
(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate
CID 59169176
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate (CID 154963897) is (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate is [N-]=[N+]=NCCC(=O)CNCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate?
The InChIKey is HMINZCDPJYOBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O5/c12-15-14-6-3-8(17)7-13-5-4-11(20)21-16-9(18)1-2-10(16)19/h13H,1-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate has a molecular weight of 297.27 g/mol, XLogP of -0.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate is sourced from PubChem (CID 154963897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).