2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid

C7H12N2O3 — CID 79277590

IUPAC2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H12N2O3/c1-2-3-9(4-6(8)10)5-7(11)12/h2H,1,3-5H2,(H2,8,10)(H,11,12)
InChIKeySUGLMBKZRMVMDG-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.96
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid

2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid (PubChem CID 79277590) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid
PubChem CID79277590
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H12N2O3/c1-2-3-9(4-6(8)10)5-7(11)12/h2H,1,3-5H2,(H2,8,10)(H,11,12)
InChIKeySUGLMBKZRMVMDG-UHFFFAOYSA-N
XLogP-0.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-oxoethyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid (CID 79277590) is 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid is C=CCN(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid?
The InChIKey is SUGLMBKZRMVMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-3-9(4-6(8)10)5-7(11)12/h2H,1,3-5H2,(H2,8,10)(H,11,12).
What are the key properties of 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid?
2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid has a molecular weight of 172.18 g/mol, XLogP of -0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79277590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).