tert-butyl 2-amino-2-dipropoxyphosphorylacetate

C12H26NO5P — CID 54263371

IUPACtert-butyl 2-amino-2-dipropoxyphosphorylacetate
SMILESCCCOP(=O)(OCCC)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26NO5P/c1-6-8-16-19(15,17-9-7-2)10(13)11(14)18-12(3,4)5/h10H,6-9,13H2,1-5H3
InChIKeyRFBCGBIHBILXFN-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.66
Rot. Bonds8

About tert-butyl 2-amino-2-dipropoxyphosphorylacetate

tert-butyl 2-amino-2-dipropoxyphosphorylacetate (PubChem CID 54263371) has the molecular formula C12H26NO5P and a molecular weight of 295.32 g/mol. Its IUPAC name is tert-butyl 2-amino-2-dipropoxyphosphorylacetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-dipropoxyphosphorylacetate
PubChem CID54263371
Molecular FormulaC12H26NO5P
Molecular Weight295.32 g/mol
Exact Mass295.15
IUPAC Nametert-butyl 2-amino-2-dipropoxyphosphorylacetate
SMILESCCCOP(=O)(OCCC)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26NO5P/c1-6-8-16-19(15,17-9-7-2)10(13)11(14)18-12(3,4)5/h10H,6-9,13H2,1-5H3
InChIKeyRFBCGBIHBILXFN-UHFFFAOYSA-N
XLogP2.66
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
tert-butyl 2-(2-chloroethoxy)-2-diethoxyphosphorylacetate
CID 86602493
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
CID 135014585
tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl 2-aminooctadecanoate
CID 85318598
tert-butyl 2-[(R)-amino(hydroxy)methyl]butanoate
CID 87468995

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-dipropoxyphosphorylacetate?
The IUPAC name of tert-butyl 2-amino-2-dipropoxyphosphorylacetate (CID 54263371) is tert-butyl 2-amino-2-dipropoxyphosphorylacetate.
What is the SMILES notation for tert-butyl 2-amino-2-dipropoxyphosphorylacetate?
The canonical SMILES for tert-butyl 2-amino-2-dipropoxyphosphorylacetate is CCCOP(=O)(OCCC)C(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2-dipropoxyphosphorylacetate?
The InChIKey is RFBCGBIHBILXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO5P/c1-6-8-16-19(15,17-9-7-2)10(13)11(14)18-12(3,4)5/h10H,6-9,13H2,1-5H3.
What are the key properties of tert-butyl 2-amino-2-dipropoxyphosphorylacetate?
tert-butyl 2-amino-2-dipropoxyphosphorylacetate has a molecular weight of 295.32 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-dipropoxyphosphorylacetate is sourced from PubChem (CID 54263371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).