3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide

C12H17N3O5 — CID 118681514

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide
SMILESO=C(CCO)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N3O5/c16-8-4-10(18)14-6-5-13-9(17)3-7-15-11(19)1-2-12(15)20/h1-2,16H,3-8H2,(H,13,17)(H,14,18)
InChIKeyDYJNTLOHNXFPSF-UHFFFAOYSA-N
MW283.28 g/mol
LogP-2.08
Rot. Bonds8

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide (PubChem CID 118681514) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide
PubChem CID118681514
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide
SMILESO=C(CCO)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N3O5/c16-8-4-10(18)14-6-5-13-9(17)3-7-15-11(19)1-2-12(15)20/h1-2,16H,3-8H2,(H,13,17)(H,14,18)
InChIKeyDYJNTLOHNXFPSF-UHFFFAOYSA-N
XLogP-2.08
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide
CID 58841265
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropylamino)ethyl]propanamide
CID 60126591
3-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 68404499
3-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)propanamide
CID 69886070
4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide
CID 70834289
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
CID 71290844
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide
CID 71290853
3-(2,5-dioxopyrrol-1-yl)-N-(hydroxymethyl)propanamide
CID 118358014
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide
CID 118521794
1-[3-Hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione
CID 121263271
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 121388616
3-(2,5-dioxopyrrol-1-yl)-N-(4-hydroxybutan-2-yl)propanamide
CID 126589446

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide (CID 118681514) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide is O=C(CCO)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide?
The InChIKey is DYJNTLOHNXFPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-8-4-10(18)14-6-5-13-9(17)3-7-15-11(19)1-2-12(15)20/h1-2,16H,3-8H2,(H,13,17)(H,14,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide has a molecular weight of 283.28 g/mol, XLogP of -2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 118681514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).