3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide

C7H9N3O3 — CID 129198560

IUPAC3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCC(C(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c8-3-4(7(9)13)10-5(11)1-2-6(10)12/h1-2,4H,3,8H2,(H2,9,13)
InChIKeySMMMXOWASKNEJD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-2.28
Rot. Bonds3

About 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide

3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 129198560) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID129198560
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCC(C(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c8-3-4(7(9)13)10-5(11)1-2-6(10)12/h1-2,4H,3,8H2,(H2,9,13)
InChIKeySMMMXOWASKNEJD-UHFFFAOYSA-N
XLogP-2.28
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1-amino-5,5-dimethyl-3-oxohexan-2-yl]pyrrole-2,5-dione
CID 130376840
3-amino-2-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide
CID 146319849
1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one
CID 177144734
1-[(3S)-1-amino-5,5-dimethyl-4-oxohexan-3-yl]pyrrole-2,5-dione
CID 146251498
methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoate
CID 101212710
3-[[2-carboxy-2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 177180351
dimethyl (2S)-2-(2,5-dioxopyrrol-1-yl)butanedioate
CID 11687355
(2S)-2-(2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 82679809
2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
CID 175837532
1-(2-amino-1-cyclopropylethyl)pyrrole-2,5-dione
CID 65194125
3-amino-2-(2,5-dioxopyrrol-1-yl)propanal;ethane
CID 145374973
ethane;1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 176999614

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide (CID 129198560) is 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide is NCC(C(N)=O)N1C(=O)C=CC1=O.
What is the InChIKey of 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is SMMMXOWASKNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-3-4(7(9)13)10-5(11)1-2-6(10)12/h1-2,4H,3,8H2,(H2,9,13).
What are the key properties of 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide?
3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 183.17 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 129198560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).