(2R)-2-azido-4-diethoxyphosphorylbutanoic acid

C8H16N3O5P — CID 101406077

IUPAC(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
SMILESCCOP(=O)(CC[C@@H](N=[N+]=[N-])C(=O)O)OCC
InChIInChI=1S/C8H16N3O5P/c1-3-15-17(14,16-4-2)6-5-7(8(12)13)10-11-9/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyASBPTMWFTYGTLG-SSDOTTSWSA-N
MW265.21 g/mol
LogP2.41
Rot. Bonds9

About (2R)-2-azido-4-diethoxyphosphorylbutanoic acid

(2R)-2-azido-4-diethoxyphosphorylbutanoic acid (PubChem CID 101406077) has the molecular formula C8H16N3O5P and a molecular weight of 265.21 g/mol. Its IUPAC name is (2R)-2-azido-4-diethoxyphosphorylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
PubChem CID101406077
Molecular FormulaC8H16N3O5P
Molecular Weight265.21 g/mol
Exact Mass265.08
IUPAC Name(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
SMILESCCOP(=O)(CC[C@@H](N=[N+]=[N-])C(=O)O)OCC
InChIInChI=1S/C8H16N3O5P/c1-3-15-17(14,16-4-2)6-5-7(8(12)13)10-11-9/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyASBPTMWFTYGTLG-SSDOTTSWSA-N
XLogP2.41
TPSA121.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-azidoheptanoic acid
CID 122577491
2-azido-7-ethoxy-7-oxoheptanoic acid
CID 139368374
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
1-azido-3-diethoxyphosphorylpropane
CID 10867835
2-azido-3-hydroxypropanoic acid
CID 54415353
2-diethoxyphosphorylacetyl azide
CID 59835448
(2S)-2,6-diazidohexanoic acid
CID 101430733
(2R)-2-azido-6-bromohexanoic acid
CID 11064392
(2S)-3-amino-2-azidopropanoic acid
CID 11579126
(2S)-2-azido-7-bromoheptanoic acid
CID 11010362
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
2-azidopent-4-enoic acid
CID 77132005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-4-diethoxyphosphorylbutanoic acid?
The IUPAC name of (2R)-2-azido-4-diethoxyphosphorylbutanoic acid (CID 101406077) is (2R)-2-azido-4-diethoxyphosphorylbutanoic acid.
What is the SMILES notation for (2R)-2-azido-4-diethoxyphosphorylbutanoic acid?
The canonical SMILES for (2R)-2-azido-4-diethoxyphosphorylbutanoic acid is CCOP(=O)(CC[C@@H](N=[N+]=[N-])C(=O)O)OCC.
What is the InChIKey of (2R)-2-azido-4-diethoxyphosphorylbutanoic acid?
The InChIKey is ASBPTMWFTYGTLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N3O5P/c1-3-15-17(14,16-4-2)6-5-7(8(12)13)10-11-9/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-azido-4-diethoxyphosphorylbutanoic acid?
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid has a molecular weight of 265.21 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-4-diethoxyphosphorylbutanoic acid is sourced from PubChem (CID 101406077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).