prop-2-enyl 2-[(2-aminoacetyl)amino]acetate

C7H12N2O3 — CID 87433977

IUPACprop-2-enyl 2-[(2-aminoacetyl)amino]acetate
SMILESC=CCOC(=O)CNC(=O)CN
InChIInChI=1S/C7H12N2O3/c1-2-3-12-7(11)5-9-6(10)4-8/h2H,1,3-5,8H2,(H,9,10)
InChIKeyGSEMEYOQRGZNOT-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.21
Rot. Bonds5

About prop-2-enyl 2-[(2-aminoacetyl)amino]acetate

prop-2-enyl 2-[(2-aminoacetyl)amino]acetate (PubChem CID 87433977) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is prop-2-enyl 2-[(2-aminoacetyl)amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2-aminoacetyl)amino]acetate
PubChem CID87433977
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Nameprop-2-enyl 2-[(2-aminoacetyl)amino]acetate
SMILESC=CCOC(=O)CNC(=O)CN
InChIInChI=1S/C7H12N2O3/c1-2-3-12-7(11)5-9-6(10)4-8/h2H,1,3-5,8H2,(H,9,10)
InChIKeyGSEMEYOQRGZNOT-UHFFFAOYSA-N
XLogP-1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
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 prop-2-enyl 2-[(2-aminoacetyl)amino]acetate?
The IUPAC name of prop-2-enyl 2-[(2-aminoacetyl)amino]acetate (CID 87433977) is prop-2-enyl 2-[(2-aminoacetyl)amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[(2-aminoacetyl)amino]acetate?
The canonical SMILES for prop-2-enyl 2-[(2-aminoacetyl)amino]acetate is C=CCOC(=O)CNC(=O)CN.
What is the InChIKey of prop-2-enyl 2-[(2-aminoacetyl)amino]acetate?
The InChIKey is GSEMEYOQRGZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-3-12-7(11)5-9-6(10)4-8/h2H,1,3-5,8H2,(H,9,10).
What are the key properties of prop-2-enyl 2-[(2-aminoacetyl)amino]acetate?
prop-2-enyl 2-[(2-aminoacetyl)amino]acetate has a molecular weight of 172.18 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2-aminoacetyl)amino]acetate is sourced from PubChem (CID 87433977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).