amino 4-(2,5-dioxopyrrol-1-yl)butanoate

C8H10N2O4 — CID 90273773

IUPACamino 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESNOC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c9-14-8(13)2-1-5-10-6(11)3-4-7(10)12/h3-4H,1-2,5,9H2
InChIKeyDMUVKDUZEVQYBI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.89
Rot. Bonds4

About amino 4-(2,5-dioxopyrrol-1-yl)butanoate

amino 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 90273773) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is amino 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Nameamino 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID90273773
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameamino 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESNOC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c9-14-8(13)2-1-5-10-6(11)3-4-7(10)12/h3-4H,1-2,5,9H2
InChIKeyDMUVKDUZEVQYBI-UHFFFAOYSA-N
XLogP-0.89
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
Methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoate
CID 11629774
Sodium 4-maleimidobutyrate
CID 121347902
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
Thionitroso 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 21351005
4-(2,5-Dioxopyrrol-1-yl)butanoate
CID 22907752
N-Maleoyl-5-NH2butyric acid,Et ester
CID 23274068
Butyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69336081
Propyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69337299
4-(2,5-Dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87396636
4-(2,5-dioxopyrrol-1-yl)butanoic acid;N'-hydroxybutanediamide
CID 87475313

Frequently Asked Questions

What is the IUPAC name of amino 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of amino 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 90273773) is amino 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for amino 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for amino 4-(2,5-dioxopyrrol-1-yl)butanoate is NOC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of amino 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is DMUVKDUZEVQYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-14-8(13)2-1-5-10-6(11)3-4-7(10)12/h3-4H,1-2,5,9H2.
What are the key properties of amino 4-(2,5-dioxopyrrol-1-yl)butanoate?
amino 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 198.18 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 90273773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).