hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium

C7H13NO3P+ — CID 156505572

IUPAChydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium
SMILESC=CC(=O)NC(C(C)C)[P+](=O)O
InChIInChI=1S/C7H12NO3P/c1-4-6(9)8-7(5(2)3)12(10)11/h4-5,7H,1H2,2-3H3,(H-,8,9,10,11)/p+1
InChIKeyUWKDYRJOLVVVES-UHFFFAOYSA-O
MW190.16 g/mol
LogP1.01
Rot. Bonds4

About hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium

hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium (PubChem CID 156505572) has the molecular formula C7H13NO3P+ and a molecular weight of 190.16 g/mol. Its IUPAC name is hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium
PubChem CID156505572
Molecular FormulaC7H13NO3P+
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Namehydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium
SMILESC=CC(=O)NC(C(C)C)[P+](=O)O
InChIInChI=1S/C7H12NO3P/c1-4-6(9)8-7(5(2)3)12(10)11/h4-5,7H,1H2,2-3H3,(H-,8,9,10,11)/p+1
InChIKeyUWKDYRJOLVVVES-UHFFFAOYSA-O
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium
CID 87336798
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
[2-methyl-1-(prop-2-enoylamino)propyl]phosphonic acid
CID 22111436
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid;hydrate
CID 141274766
azane;2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173264796
methyl-[1-(prop-2-enoylamino)ethyl]azanium chloride
CID 154611699
N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
CID 130862795

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium?
The IUPAC name of hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium (CID 156505572) is hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium?
The canonical SMILES for hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium is C=CC(=O)NC(C(C)C)[P+](=O)O.
What is the InChIKey of hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium?
The InChIKey is UWKDYRJOLVVVES-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12NO3P/c1-4-6(9)8-7(5(2)3)12(10)11/h4-5,7H,1H2,2-3H3,(H-,8,9,10,11)/p+1.
What are the key properties of hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium?
hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium has a molecular weight of 190.16 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium is sourced from PubChem (CID 156505572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).