3-dimethoxyphosphorylpropylcarbamic acid

C6H14NO5P — CID 154388799

IUPAC3-dimethoxyphosphorylpropylcarbamic acid
SMILESCOP(=O)(CCCNC(=O)O)OC
InChIInChI=1S/C6H14NO5P/c1-11-13(10,12-2)5-3-4-7-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyOBBRRFCSVCNXTB-UHFFFAOYSA-N
MW211.15 g/mol
LogP1.13
Rot. Bonds6

About 3-dimethoxyphosphorylpropylcarbamic acid

3-dimethoxyphosphorylpropylcarbamic acid (PubChem CID 154388799) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 3-dimethoxyphosphorylpropylcarbamic acid.

Molecular Properties

Compound Name3-dimethoxyphosphorylpropylcarbamic acid
PubChem CID154388799
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name3-dimethoxyphosphorylpropylcarbamic acid
SMILESCOP(=O)(CCCNC(=O)O)OC
InChIInChI=1S/C6H14NO5P/c1-11-13(10,12-2)5-3-4-7-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyOBBRRFCSVCNXTB-UHFFFAOYSA-N
XLogP1.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl (1-formamidopropyl)phosphonate
CID 13412769
1-(Methoxycarbonylamino)ethylphosphonic acid
CID 45119381
4-(2-Diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
2-(Propylcarbamoyloxy)ethylphosphonic acid
CID 60078880
3-Phosphorosopropylcarbamic acid
CID 87946789
3-Bis(methylperoxy)phosphorylpropylcarbamic acid
CID 88785223
dimethoxyphosphorylmethyl N-ethylcarbamate
CID 89047936
Ethylcarbamoyloxymethylphosphonic acid
CID 89047957
[(1R)-1-(carboxyamino)ethyl]-methoxy-oxophosphanium
CID 90097389
1-(Carboxyamino)ethyl-methoxy-oxophosphanium
CID 90097390
2-(Methoxycarbonylamino)ethylphosphonic acid
CID 118335358
methyl N-(3-phosphonooxypropyl)carbamate
CID 121342439

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphorylpropylcarbamic acid?
The IUPAC name of 3-dimethoxyphosphorylpropylcarbamic acid (CID 154388799) is 3-dimethoxyphosphorylpropylcarbamic acid.
What is the SMILES notation for 3-dimethoxyphosphorylpropylcarbamic acid?
The canonical SMILES for 3-dimethoxyphosphorylpropylcarbamic acid is COP(=O)(CCCNC(=O)O)OC.
What is the InChIKey of 3-dimethoxyphosphorylpropylcarbamic acid?
The InChIKey is OBBRRFCSVCNXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-11-13(10,12-2)5-3-4-7-6(8)9/h7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-dimethoxyphosphorylpropylcarbamic acid?
3-dimethoxyphosphorylpropylcarbamic acid has a molecular weight of 211.15 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphorylpropylcarbamic acid is sourced from PubChem (CID 154388799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).