2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid

C11H15N3O5 — CID 79285060

IUPAC2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H15N3O5/c1-2-5-14(6-9(16)17)11(19)12-7-3-4-8(15)13-10(7)18/h2,7H,1,3-6H2,(H,12,19)(H,16,17)(H,13,15,18)
InChIKeyCYUXTKCQEZQULT-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.93
Rot. Bonds5

About 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid

2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid (PubChem CID 79285060) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid
PubChem CID79285060
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H15N3O5/c1-2-5-14(6-9(16)17)11(19)12-7-3-4-8(15)13-10(7)18/h2,7H,1,3-6H2,(H,12,19)(H,16,17)(H,13,15,18)
InChIKeyCYUXTKCQEZQULT-UHFFFAOYSA-N
XLogP-0.93
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-Dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264843
1-(2,6-Dioxopiperidin-3-yl)-1,3-dimethyl-3-prop-2-enylurea
CID 169671504
1-[2-Oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-2-carboxylic acid
CID 43441361
2-[(6-Oxopiperidin-3-yl)carbamoyl-propylamino]acetic acid
CID 55227249
2-[Ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 55232479
2-[Butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 55232678
2-[Methyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 62094169
2-[Carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63645493
2-[(6-Oxopiperidin-3-yl)carbamoylamino]acetic acid
CID 63661093
2-[Methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63661097
2-[Carboxymethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63662501
2-[(6-Oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid
CID 63663400

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid (CID 79285060) is 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is CYUXTKCQEZQULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-5-14(6-9(16)17)11(19)12-7-3-4-8(15)13-10(7)18/h2,7H,1,3-6H2,(H,12,19)(H,16,17)(H,13,15,18).
What are the key properties of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid?
2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79285060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).