N-acetyl-propoxyphosphonamidic acid

C5H12NO4P — CID 146414969

IUPACN-acetyl-propoxyphosphonamidic acid
SMILESCCCOP(=O)(O)NC(C)=O
InChIInChI=1S/C5H12NO4P/c1-3-4-10-11(8,9)6-5(2)7/h3-4H2,1-2H3,(H2,6,7,8,9)
InChIKeyWPPFERYUVWQSAE-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.65
Rot. Bonds4

About N-acetyl-propoxyphosphonamidic acid

N-acetyl-propoxyphosphonamidic acid (PubChem CID 146414969) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is N-acetyl-propoxyphosphonamidic acid.

Molecular Properties

Compound NameN-acetyl-propoxyphosphonamidic acid
PubChem CID146414969
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC NameN-acetyl-propoxyphosphonamidic acid
SMILESCCCOP(=O)(O)NC(C)=O
InChIInChI=1S/C5H12NO4P/c1-3-4-10-11(8,9)6-5(2)7/h3-4H2,1-2H3,(H2,6,7,8,9)
InChIKeyWPPFERYUVWQSAE-UHFFFAOYSA-N
XLogP0.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid
CID 146414807
propyl dihydrogen phosphate;urea
CID 88818408
2-acetamidoethyl propyl phosphate
CID 23558663
hydroxymethoxy-N-propanoylphosphonamidic acid
CID 87902749
2-hydroxyethoxy-N-methylphosphonamidic acid
CID 123741981
2-[hydroxy-(2-methylprop-2-enoylamino)phosphoryl]oxyethyl-trimethylazanium
CID 146219697
(3-methoxy-2-methyl-3-oxoprop-1-enyl)-propoxyphosphinic acid
CID 139781457
[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid
CID 175356502
3-dipropoxyphosphoryl-N-methylpropanamide
CID 88662399
3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid
CID 174534133
butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796
N-methylacetamide;phosphoric acid
CID 174660683

Frequently Asked Questions

What is the IUPAC name of N-acetyl-propoxyphosphonamidic acid?
The IUPAC name of N-acetyl-propoxyphosphonamidic acid (CID 146414969) is N-acetyl-propoxyphosphonamidic acid.
What is the SMILES notation for N-acetyl-propoxyphosphonamidic acid?
The canonical SMILES for N-acetyl-propoxyphosphonamidic acid is CCCOP(=O)(O)NC(C)=O.
What is the InChIKey of N-acetyl-propoxyphosphonamidic acid?
The InChIKey is WPPFERYUVWQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-3-4-10-11(8,9)6-5(2)7/h3-4H2,1-2H3,(H2,6,7,8,9).
What are the key properties of N-acetyl-propoxyphosphonamidic acid?
N-acetyl-propoxyphosphonamidic acid has a molecular weight of 181.13 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-propoxyphosphonamidic acid is sourced from PubChem (CID 146414969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).