ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate

C11H23N2O6P — CID 174312194

IUPACethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate
SMILESCCCC(NC(=O)NCC(=O)OCC)P(=O)(OC)OC
InChIInChI=1S/C11H23N2O6P/c1-5-7-9(20(16,17-3)18-4)13-11(15)12-8-10(14)19-6-2/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyALTPYHSMFLEBGN-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.46
Rot. Bonds9

About ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate

ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate (PubChem CID 174312194) has the molecular formula C11H23N2O6P and a molecular weight of 310.29 g/mol. Its IUPAC name is ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate
PubChem CID174312194
Molecular FormulaC11H23N2O6P
Molecular Weight310.29 g/mol
Exact Mass310.13
IUPAC Nameethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate
SMILESCCCC(NC(=O)NCC(=O)OCC)P(=O)(OC)OC
InChIInChI=1S/C11H23N2O6P/c1-5-7-9(20(16,17-3)18-4)13-11(15)12-8-10(14)19-6-2/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyALTPYHSMFLEBGN-UHFFFAOYSA-N
XLogP1.46
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
ethyl 2-(hex-1-yn-3-ylcarbamoylamino)acetate
CID 103528288
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
ethyl 2-(2-methylpentan-3-ylcarbamoylamino)acetate
CID 61471057
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
2-(1-diphenoxyphosphorylbutylcarbamoylamino)acetic acid
CID 88828280
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-acetamido-2-dimethoxyphosphorylacetate
CID 66524865
ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate
CID 46286166

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate (CID 174312194) is ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate is CCCC(NC(=O)NCC(=O)OCC)P(=O)(OC)OC.
What is the InChIKey of ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate?
The InChIKey is ALTPYHSMFLEBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O6P/c1-5-7-9(20(16,17-3)18-4)13-11(15)12-8-10(14)19-6-2/h9H,5-8H2,1-4H3,(H2,12,13,15).
What are the key properties of ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate?
ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate has a molecular weight of 310.29 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate is sourced from PubChem (CID 174312194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).