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

C10H17N3O4 — CID 54900335

IUPAC2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
SMILESC=CCNC(=O)NC(=O)CN(CC)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-3-5-11-10(17)12-8(14)6-13(4-2)7-9(15)16/h3H,1,4-7H2,2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyPPIZGTSSIJMKQS-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.60
Rot. Bonds7

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

2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid (PubChem CID 54900335) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
PubChem CID54900335
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
SMILESC=CCNC(=O)NC(=O)CN(CC)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-3-5-11-10(17)12-8(14)6-13(4-2)7-9(15)16/h3H,1,4-7H2,2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyPPIZGTSSIJMKQS-UHFFFAOYSA-N
XLogP-0.60
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
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-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid (CID 54900335) is 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid is C=CCNC(=O)NC(=O)CN(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The InChIKey is PPIZGTSSIJMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-5-11-10(17)12-8(14)6-13(4-2)7-9(15)16/h3H,1,4-7H2,2H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 54900335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).