[2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate

C6H14NO4P — CID 21044907

IUPAC[2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate
SMILESCCC(N)(CO)COC(=O)OP
InChIInChI=1S/C6H14NO4P/c1-2-6(7,3-8)4-10-5(9)11-12/h8H,2-4,7,12H2,1H3
InChIKeyAKROPMIJICPMFQ-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.03
Rot. Bonds4

About [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate

[2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate (PubChem CID 21044907) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate.

Molecular Properties

Compound Name[2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate
PubChem CID21044907
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name[2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate
SMILESCCC(N)(CO)COC(=O)OP
InChIInChI=1S/C6H14NO4P/c1-2-6(7,3-8)4-10-5(9)11-12/h8H,2-4,7,12H2,1H3
InChIKeyAKROPMIJICPMFQ-UHFFFAOYSA-N
XLogP0.03
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate
CID 58800394
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate
CID 130273883
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
CID 118105038
2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid
CID 88894432
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
2-(2-amino-2-ethylbutoxy)-N-methylacetamide
CID 64573787
(2-amino-2-methylbutyl) methyl carbonate
CID 79336943
phosphanyl 2-bromo-2-ethylbutanoate
CID 174596578
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
CID 173373234
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
2-amino-2-[(methylideneamino)methyl]butan-1-ol
CID 163560716

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate?
The IUPAC name of [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate (CID 21044907) is [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate.
What is the SMILES notation for [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate?
The canonical SMILES for [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate is CCC(N)(CO)COC(=O)OP.
What is the InChIKey of [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate?
The InChIKey is AKROPMIJICPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-2-6(7,3-8)4-10-5(9)11-12/h8H,2-4,7,12H2,1H3.
What are the key properties of [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate?
[2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate has a molecular weight of 195.15 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(hydroxymethyl)butyl] phosphanyl carbonate is sourced from PubChem (CID 21044907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).