2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid

C8H13N3O4 — CID 43465760

IUPAC2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
SMILESC=CCNC(=O)NC(=O)CNCC(=O)O
InChIInChI=1S/C8H13N3O4/c1-2-3-10-8(15)11-6(12)4-9-5-7(13)14/h2,9H,1,3-5H2,(H,13,14)(H2,10,11,12,15)
InChIKeyDFURWFCRVRVWIK-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.33
Rot. Bonds6

About 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid

2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid (PubChem CID 43465760) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
PubChem CID43465760
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
SMILESC=CCNC(=O)NC(=O)CNCC(=O)O
InChIInChI=1S/C8H13N3O4/c1-2-3-10-8(15)11-6(12)4-9-5-7(13)14/h2,9H,1,3-5H2,(H,13,14)(H2,10,11,12,15)
InChIKeyDFURWFCRVRVWIK-UHFFFAOYSA-N
XLogP-1.33
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid (CID 43465760) is 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid is C=CCNC(=O)NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The InChIKey is DFURWFCRVRVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-2-3-10-8(15)11-6(12)4-9-5-7(13)14/h2,9H,1,3-5H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 43465760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).