dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate

C10H16N6O4 — CID 59749614

IUPACdimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
SMILESCOC(=O)[C@@H](CCN=[N+]=[N-])[C@@H](CCN=[N+]=[N-])C(=O)OC
InChIInChI=1S/C10H16N6O4/c1-19-9(17)7(3-5-13-15-11)8(10(18)20-2)4-6-14-16-12/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyAKWWPRXFIIDCEM-OCAPTIKFSA-N
MW284.28 g/mol
LogP1.97
Rot. Bonds9

About dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate

dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate (PubChem CID 59749614) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
PubChem CID59749614
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Namedimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
SMILESCOC(=O)[C@@H](CCN=[N+]=[N-])[C@@H](CCN=[N+]=[N-])C(=O)OC
InChIInChI=1S/C10H16N6O4/c1-19-9(17)7(3-5-13-15-11)8(10(18)20-2)4-6-14-16-12/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyAKWWPRXFIIDCEM-OCAPTIKFSA-N
XLogP1.97
TPSA150.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23385789
methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate
CID 44542973
methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10989838
methyl 2-azidohexanoate
CID 22742063
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
CID 66191015
dimethyl 2-azido-5-bromohexanedioate
CID 11426390
dimethyl (2S)-2-azidobutanedioate
CID 165151832
2-azido-N-methoxyacetamide
CID 150686867
methyl 3-azido-2-[(2-ethoxy-2-oxoethyl)amino]propanoate
CID 75040874
methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate
CID 114784717

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate?
The IUPAC name of dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate (CID 59749614) is dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate.
What is the SMILES notation for dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate?
The canonical SMILES for dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate is COC(=O)[C@@H](CCN=[N+]=[N-])[C@@H](CCN=[N+]=[N-])C(=O)OC.
What is the InChIKey of dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate?
The InChIKey is AKWWPRXFIIDCEM-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-19-9(17)7(3-5-13-15-11)8(10(18)20-2)4-6-14-16-12/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate?
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate has a molecular weight of 284.28 g/mol, XLogP of 1.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate is sourced from PubChem (CID 59749614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).