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

C11H17N3O4 — CID 54945540

IUPAC2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
SMILESC=CCNC(=O)NC(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C11H17N3O4/c1-2-5-12-11(18)13-9(15)6-14(7-10(16)17)8-3-4-8/h2,8H,1,3-7H2,(H,16,17)(H2,12,13,15,18)
InChIKeyDPZASAOPDORKBV-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.45
Rot. Bonds7

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

2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid (PubChem CID 54945540) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
PubChem CID54945540
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid
SMILESC=CCNC(=O)NC(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C11H17N3O4/c1-2-5-12-11(18)13-9(15)6-14(7-10(16)17)8-3-4-8/h2,8H,1,3-7H2,(H,16,17)(H2,12,13,15,18)
InChIKeyDPZASAOPDORKBV-UHFFFAOYSA-N
XLogP-0.45
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.45
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-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid (CID 54945540) is 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid is C=CCNC(=O)NC(=O)CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
The InChIKey is DPZASAOPDORKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-5-12-11(18)13-9(15)6-14(7-10(16)17)8-3-4-8/h2,8H,1,3-7H2,(H,16,17)(H2,12,13,15,18).
What are the key properties of 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid?
2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 54945540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).