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

C20H24N6O8 — CID 134495372

IUPAC3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide
SMILESNC(=O)CCN(C(=O)CCN1C(=O)C=CC1=O)N(CCC(N)=O)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H24N6O8/c21-13(27)5-11-25(19(33)7-9-23-15(29)1-2-16(23)30)26(12-6-14(22)28)20(34)8-10-24-17(31)3-4-18(24)32/h1-4H,5-12H2,(H2,21,27)(H2,22,28)
InChIKeyYFMFIMAYAHVRAA-UHFFFAOYSA-N
MW476.45 g/mol
LogP-3.06
Rot. Bonds12

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

3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide (PubChem CID 134495372) has the molecular formula C20H24N6O8 and a molecular weight of 476.45 g/mol. Its IUPAC name is 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide.

Molecular Properties

Compound Name3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide
PubChem CID134495372
Molecular FormulaC20H24N6O8
Molecular Weight476.45 g/mol
Exact Mass476.17
IUPAC Name3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide
SMILESNC(=O)CCN(C(=O)CCN1C(=O)C=CC1=O)N(CCC(N)=O)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H24N6O8/c21-13(27)5-11-25(19(33)7-9-23-15(29)1-2-16(23)30)26(12-6-14(22)28)20(34)8-10-24-17(31)3-4-18(24)32/h1-4H,5-12H2,(H2,21,27)(H2,22,28)
InChIKeyYFMFIMAYAHVRAA-UHFFFAOYSA-N
XLogP-3.06
TPSA201.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

1-[3-[5,9-Bis[3-(2,5-dioxopyrrol-1-yl)propanoyl]-1,5,9-triazacyclododec-1-yl]-3-oxo-propyl]pyrrole-2,5-dione
CID 49769277
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide
CID 59281652
N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59281654
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 59281655
N-[2-[bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59281656
3-amino-N-[2-[3-aminopropanoyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide
CID 71070200
3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propyl]propanamide
CID 89595009
3-[(3-Amino-3-oxopropyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanamide
CID 134511157
3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
CID 166060331
3-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
CID 169872809
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]amino]ethyl]propanamide
CID 172308451
[Carboxy-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]carbamic acid
CID 172828614

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide?
The IUPAC name of 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide (CID 134495372) is 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide.
What is the SMILES notation for 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide?
The canonical SMILES for 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide is NC(=O)CCN(C(=O)CCN1C(=O)C=CC1=O)N(CCC(N)=O)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide?
The InChIKey is YFMFIMAYAHVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O8/c21-13(27)5-11-25(19(33)7-9-23-15(29)1-2-16(23)30)26(12-6-14(22)28)20(34)8-10-24-17(31)3-4-18(24)32/h1-4H,5-12H2,(H2,21,27)(H2,22,28).
What are the key properties of 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide?
3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide has a molecular weight of 476.45 g/mol, XLogP of -3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide is sourced from PubChem (CID 134495372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).