tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate

C17H37NO8P2 — CID 135014585

IUPACtert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
SMILESCCOP(=O)(OCC)C(C[C@@](C)(N)C(=O)OC(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C17H37NO8P2/c1-9-22-27(20,23-10-2)14(28(21,24-11-3)25-12-4)13-17(8,18)15(19)26-16(5,6)7/h14H,9-13,18H2,1-8H3/t17-/m1/s1
InChIKeyVNOMQLHNTCSAFZ-QGZVFWFLSA-N
MW445.43 g/mol
LogP4.29
Rot. Bonds13

About tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate

tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate (PubChem CID 135014585) has the molecular formula C17H37NO8P2 and a molecular weight of 445.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
PubChem CID135014585
Molecular FormulaC17H37NO8P2
Molecular Weight445.43 g/mol
Exact Mass445.20
IUPAC Nametert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
SMILESCCOP(=O)(OCC)C(C[C@@](C)(N)C(=O)OC(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C17H37NO8P2/c1-9-22-27(20,23-10-2)14(28(21,24-11-3)25-12-4)13-17(8,18)15(19)26-16(5,6)7/h14H,9-13,18H2,1-8H3/t17-/m1/s1
InChIKeyVNOMQLHNTCSAFZ-QGZVFWFLSA-N
XLogP4.29
TPSA123.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-amino-2-methylbutanoate
CID 57065148
2-amino-2-(diethoxyphosphorylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174603577
2-amino-4,4-bis(diethoxyphosphoryl)butanamide
CID 134929357
tert-butyl 2-amino-2-dipropoxyphosphorylacetate
CID 54263371
tert-butyl 2-(2-chloroethoxy)-2-diethoxyphosphorylacetate
CID 86602493
2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 87307730
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate (CID 135014585) is tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate is CCOP(=O)(OCC)C(C[C@@](C)(N)C(=O)OC(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate?
The InChIKey is VNOMQLHNTCSAFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H37NO8P2/c1-9-22-27(20,23-10-2)14(28(21,24-11-3)25-12-4)13-17(8,18)15(19)26-16(5,6)7/h14H,9-13,18H2,1-8H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate?
tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate has a molecular weight of 445.43 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate is sourced from PubChem (CID 135014585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).