[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium

C7H11NO5P+ — CID 86633843

IUPAC[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium
SMILESCC(=O)N/C(=C\C[P+](=O)CO)C(=O)O
InChIInChI=1S/C7H10NO5P/c1-5(10)8-6(7(11)12)2-3-14(13)4-9/h2,9H,3-4H2,1H3,(H-,8,10,11,12)/p+1/b6-2-
InChIKeyYIMSSVBUCNQOPM-KXFIGUGUSA-O
MW220.14 g/mol
LogP-0.13
Rot. Bonds5

About [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium

[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium (PubChem CID 86633843) has the molecular formula C7H11NO5P+ and a molecular weight of 220.14 g/mol. Its IUPAC name is [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium.

Molecular Properties

Compound Name[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium
PubChem CID86633843
Molecular FormulaC7H11NO5P+
Molecular Weight220.14 g/mol
Exact Mass220.04
IUPAC Name[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium
SMILESCC(=O)N/C(=C\C[P+](=O)CO)C(=O)O
InChIInChI=1S/C7H10NO5P/c1-5(10)8-6(7(11)12)2-3-14(13)4-9/h2,9H,3-4H2,1H3,(H-,8,10,11,12)/p+1/b6-2-
InChIKeyYIMSSVBUCNQOPM-KXFIGUGUSA-O
XLogP-0.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium?
The IUPAC name of [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium (CID 86633843) is [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium.
What is the SMILES notation for [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium?
The canonical SMILES for [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium is CC(=O)N/C(=C\C[P+](=O)CO)C(=O)O.
What is the InChIKey of [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium?
The InChIKey is YIMSSVBUCNQOPM-KXFIGUGUSA-O. The full InChI is InChI=1S/C7H10NO5P/c1-5(10)8-6(7(11)12)2-3-14(13)4-9/h2,9H,3-4H2,1H3,(H-,8,10,11,12)/p+1/b6-2-.
What are the key properties of [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium?
[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium has a molecular weight of 220.14 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium is sourced from PubChem (CID 86633843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).