2-(2-acetamidoprop-2-enoylamino)acetic acid

C7H10N2O4 — CID 11229201

IUPAC2-(2-acetamidoprop-2-enoylamino)acetic acid
SMILESC=C(NC(C)=O)C(=O)NCC(=O)O
InChIInChI=1S/C7H10N2O4/c1-4(9-5(2)10)7(13)8-3-6(11)12/h1,3H2,2H3,(H,8,13)(H,9,10)(H,11,12)
InChIKeyXLUFJEWRCVVWHA-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.16
Rot. Bonds4

About 2-(2-acetamidoprop-2-enoylamino)acetic acid

2-(2-acetamidoprop-2-enoylamino)acetic acid (PubChem CID 11229201) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-(2-acetamidoprop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(2-acetamidoprop-2-enoylamino)acetic acid
PubChem CID11229201
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-(2-acetamidoprop-2-enoylamino)acetic acid
SMILESC=C(NC(C)=O)C(=O)NCC(=O)O
InChIInChI=1S/C7H10N2O4/c1-4(9-5(2)10)7(13)8-3-6(11)12/h1,3H2,2H3,(H,8,13)(H,9,10)(H,11,12)
InChIKeyXLUFJEWRCVVWHA-UHFFFAOYSA-N
XLogP-1.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoprop-2-enoylamino)acetic acid?
The IUPAC name of 2-(2-acetamidoprop-2-enoylamino)acetic acid (CID 11229201) is 2-(2-acetamidoprop-2-enoylamino)acetic acid.
What is the SMILES notation for 2-(2-acetamidoprop-2-enoylamino)acetic acid?
The canonical SMILES for 2-(2-acetamidoprop-2-enoylamino)acetic acid is C=C(NC(C)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-(2-acetamidoprop-2-enoylamino)acetic acid?
The InChIKey is XLUFJEWRCVVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-4(9-5(2)10)7(13)8-3-6(11)12/h1,3H2,2H3,(H,8,13)(H,9,10)(H,11,12).
What are the key properties of 2-(2-acetamidoprop-2-enoylamino)acetic acid?
2-(2-acetamidoprop-2-enoylamino)acetic acid has a molecular weight of 186.17 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoprop-2-enoylamino)acetic acid is sourced from PubChem (CID 11229201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).