tert-butyl 2-amino-2-diethoxyphosphorylacetate

C10H22NO5P — CID 10945397

IUPACtert-butyl 2-amino-2-diethoxyphosphorylacetate
SMILESCCOP(=O)(OCC)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22NO5P/c1-6-14-17(13,15-7-2)8(11)9(12)16-10(3,4)5/h8H,6-7,11H2,1-5H3
InChIKeyDIFLXBCYHDZYRY-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.88
Rot. Bonds6

About tert-butyl 2-amino-2-diethoxyphosphorylacetate

tert-butyl 2-amino-2-diethoxyphosphorylacetate (PubChem CID 10945397) has the molecular formula C10H22NO5P and a molecular weight of 267.26 g/mol. Its IUPAC name is tert-butyl 2-amino-2-diethoxyphosphorylacetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-diethoxyphosphorylacetate
PubChem CID10945397
Molecular FormulaC10H22NO5P
Molecular Weight267.26 g/mol
Exact Mass267.12
IUPAC Nametert-butyl 2-amino-2-diethoxyphosphorylacetate
SMILESCCOP(=O)(OCC)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22NO5P/c1-6-14-17(13,15-7-2)8(11)9(12)16-10(3,4)5/h8H,6-7,11H2,1-5H3
InChIKeyDIFLXBCYHDZYRY-UHFFFAOYSA-N
XLogP1.88
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.88
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-dipropoxyphosphorylacetate
CID 54263371
tert-butyl 2-(2-chloroethoxy)-2-diethoxyphosphorylacetate
CID 86602493
tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
CID 135014585
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
tert-butyl 2-bromopropanoate;tert-butyl 2-diethoxyphosphorylpropanoate;diethoxy(methyl)phosphane
CID 159212974
1-diethoxyphosphorylethanamine
CID 5149858
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
tert-butyl 2-diethoxyphosphoryl-4-(2-nonanoylhydrazinyl)-4-oxobutanoate
CID 156545678
bromomethylbenzene;tert-butyl 2-diethoxyphosphoryl-3-phenylpropanoate
CID 157202616
tert-butyl 3-(4-bromophenyl)-2-diethoxyphosphorylhexanoate
CID 102030596
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-diethoxyphosphorylacetate?
The IUPAC name of tert-butyl 2-amino-2-diethoxyphosphorylacetate (CID 10945397) is tert-butyl 2-amino-2-diethoxyphosphorylacetate.
What is the SMILES notation for tert-butyl 2-amino-2-diethoxyphosphorylacetate?
The canonical SMILES for tert-butyl 2-amino-2-diethoxyphosphorylacetate is CCOP(=O)(OCC)C(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2-diethoxyphosphorylacetate?
The InChIKey is DIFLXBCYHDZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO5P/c1-6-14-17(13,15-7-2)8(11)9(12)16-10(3,4)5/h8H,6-7,11H2,1-5H3.
What are the key properties of tert-butyl 2-amino-2-diethoxyphosphorylacetate?
tert-butyl 2-amino-2-diethoxyphosphorylacetate has a molecular weight of 267.26 g/mol, XLogP of 1.88, 6 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-diethoxyphosphorylacetate is sourced from PubChem (CID 10945397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).