2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid

C8H13NO4 — CID 79257062

IUPAC2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)COC
InChIInChI=1S/C8H13NO4/c1-3-4-9(5-8(11)12)7(10)6-13-2/h3H,1,4-6H2,2H3,(H,11,12)
InChIKeyRGVOJQYQRJQAEZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.27
Rot. Bonds6

About 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid

2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid (PubChem CID 79257062) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid
PubChem CID79257062
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)COC
InChIInChI=1S/C8H13NO4/c1-3-4-9(5-8(11)12)7(10)6-13-2/h3H,1,4-6H2,2H3,(H,11,12)
InChIKeyRGVOJQYQRJQAEZ-UHFFFAOYSA-N
XLogP-0.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxamic Acid/Ester, 11
CID 71699730
Acetic acid, (di-2-propenylamino)oxo-, ethyl ester
CID 3412735
3-Fluoroprop-2-ynyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567731
2,2,2-Trifluoroethyl 2-[ethyl(prop-2-enyl)amino]-2-oxoacetate
CID 169111566
Glycine, N-methyl-N-allyloxycarbonyl-, allyl ester
CID 91713131
2-[Prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 103206110
Ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate
CID 113227725
2-Methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid
CID 18432069
N,N-di-allyloxamic acid
CID 19746232
methyl N,N-di-allyloxamate
CID 19746234
2-[Ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid
CID 21287807
[2-[[(E)-1-hydroxybut-2-enyl]-(hydroxymethyl)amino]-2-oxoethyl] acetate
CID 23522199

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid (CID 79257062) is 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)COC.
What is the InChIKey of 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid?
The InChIKey is RGVOJQYQRJQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-4-9(5-8(11)12)7(10)6-13-2/h3H,1,4-6H2,2H3,(H,11,12).
What are the key properties of 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid?
2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79257062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).