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

C8H15NO3P+ — CID 87336798

IUPAChydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium
SMILESC=C(C)C(=O)NC(C(C)C)[P+](=O)O
InChIInChI=1S/C8H14NO3P/c1-5(2)7(10)9-8(6(3)4)13(11)12/h6,8H,1H2,2-4H3,(H-,9,10,11,12)/p+1
InChIKeyBSQOBKZNAVGJQO-UHFFFAOYSA-O
MW204.19 g/mol
LogP1.40
Rot. Bonds4

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

hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium (PubChem CID 87336798) has the molecular formula C8H15NO3P+ and a molecular weight of 204.19 g/mol. Its IUPAC name is hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium
PubChem CID87336798
Molecular FormulaC8H15NO3P+
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Namehydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium
SMILESC=C(C)C(=O)NC(C(C)C)[P+](=O)O
InChIInChI=1S/C8H14NO3P/c1-5(2)7(10)9-8(6(3)4)13(11)12/h6,8H,1H2,2-4H3,(H-,9,10,11,12)/p+1
InChIKeyBSQOBKZNAVGJQO-UHFFFAOYSA-O
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.40
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-(prop-2-enoylamino)propyl]-oxophosphanium
CID 156505572
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
[3-methyl-2-(2-methylprop-2-enoylamino)butyl] 2-methylprop-2-enoate
CID 101442825
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
CID 175297760
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium?
The IUPAC name of hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium (CID 87336798) is hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium?
The canonical SMILES for hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium is C=C(C)C(=O)NC(C(C)C)[P+](=O)O.
What is the InChIKey of hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium?
The InChIKey is BSQOBKZNAVGJQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14NO3P/c1-5(2)7(10)9-8(6(3)4)13(11)12/h6,8H,1H2,2-4H3,(H-,9,10,11,12)/p+1.
What are the key properties of hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium?
hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium has a molecular weight of 204.19 g/mol, XLogP of 1.40, 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-(2-methylprop-2-enoylamino)propyl]-oxophosphanium is sourced from PubChem (CID 87336798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).