[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium

C7H11NO6P+ — CID 86674855

IUPAC[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
SMILESCOC(=O)N/C(=C\C[P+](=O)CO)C(=O)O
InChIInChI=1S/C7H10NO6P/c1-14-7(12)8-5(6(10)11)2-3-15(13)4-9/h2,9H,3-4H2,1H3,(H-,8,10,11,12)/p+1/b5-2-
InChIKeyAVXRCDJZBPWSJZ-DJWKRKHSSA-O
MW236.14 g/mol
LogP0.09
Rot. Bonds5

About [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium

[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium (PubChem CID 86674855) has the molecular formula C7H11NO6P+ and a molecular weight of 236.14 g/mol. Its IUPAC name is [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium.

Molecular Properties

Compound Name[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
PubChem CID86674855
Molecular FormulaC7H11NO6P+
Molecular Weight236.14 g/mol
Exact Mass236.03
IUPAC Name[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
SMILESCOC(=O)N/C(=C\C[P+](=O)CO)C(=O)O
InChIInChI=1S/C7H10NO6P/c1-14-7(12)8-5(6(10)11)2-3-15(13)4-9/h2,9H,3-4H2,1H3,(H-,8,10,11,12)/p+1/b5-2-
InChIKeyAVXRCDJZBPWSJZ-DJWKRKHSSA-O
XLogP0.09
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 86633843
[(Z)-4-ethoxy-3-(methoxycarbonylamino)-4-oxobut-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 89147443
[(Z)-3-carboxy-3-(phenylmethoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 71087261
(E)-5-methoxy-2-(methoxycarbonylamino)-5-oxopent-2-enoic acid
CID 177497317
(3-acetyloxy-3-carboxyprop-2-enyl)-(hydroxymethyl)-oxophosphanium
CID 56631004
(5-amino-3-methoxycarbonyl-5-oxopent-2-enyl)-(hydroxymethyl)-oxophosphanium
CID 91600169
3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium
CID 175262865
4-chloro-2-(methoxyamino)but-2-enoic acid
CID 90898516
(Z)-2-(ethoxycarbonylamino)-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
CID 89147423
methyl N-[(E)-but-2-enoyl]carbamate
CID 16719385
(Z)-4-[methoxy(methyl)phosphoryl]-2-(propanoylamino)but-2-enoic acid
CID 87621088
(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
CID 129050654

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium?
The IUPAC name of [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium (CID 86674855) is [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium.
What is the SMILES notation for [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium?
The canonical SMILES for [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium is COC(=O)N/C(=C\C[P+](=O)CO)C(=O)O.
What is the InChIKey of [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium?
The InChIKey is AVXRCDJZBPWSJZ-DJWKRKHSSA-O. The full InChI is InChI=1S/C7H10NO6P/c1-14-7(12)8-5(6(10)11)2-3-15(13)4-9/h2,9H,3-4H2,1H3,(H-,8,10,11,12)/p+1/b5-2-.
What are the key properties of [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium?
[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium has a molecular weight of 236.14 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium is sourced from PubChem (CID 86674855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).