methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate

C8H14N4O4 — CID 44542973

IUPACmethyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate
SMILESCOC(=O)[C@@H](COCCN=[N+]=[N-])NC(C)=O
InChIInChI=1S/C8H14N4O4/c1-6(13)11-7(8(14)15-2)5-16-4-3-10-12-9/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m1/s1
InChIKeyWDQXGWNFFMAKDW-SSDOTTSWSA-N
MW230.22 g/mol
LogP-0.01
Rot. Bonds7

About methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate

methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate (PubChem CID 44542973) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate
PubChem CID44542973
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Namemethyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate
SMILESCOC(=O)[C@@H](COCCN=[N+]=[N-])NC(C)=O
InChIInChI=1S/C8H14N4O4/c1-6(13)11-7(8(14)15-2)5-16-4-3-10-12-9/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m1/s1
InChIKeyWDQXGWNFFMAKDW-SSDOTTSWSA-N
XLogP-0.01
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
CID 44543285
methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate
CID 106446620
methyl 2-acetamido-3-(3,3-dimethylbutoxy)propanoate
CID 66233558
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl 2-acetamido-3-prop-2-ynoxypropanoate
CID 75046402
methyl (2S)-2-acetamido-3-prop-2-ynoxypropanoate
CID 44542821
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
CID 59749614
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
2-azidoethyl N-[(5S)-5-acetamido-6-oxoheptyl]carbamate
CID 167653306

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate (CID 44542973) is methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate is COC(=O)[C@@H](COCCN=[N+]=[N-])NC(C)=O.
What is the InChIKey of methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate?
The InChIKey is WDQXGWNFFMAKDW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-6(13)11-7(8(14)15-2)5-16-4-3-10-12-9/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate?
methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate has a molecular weight of 230.22 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate is sourced from PubChem (CID 44542973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).