acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol

C6H13N3O5 — CID 175140766

IUPACacetic acid;1-azido-2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)O.[N-]=[N+]=NC(O)COCCO
InChIInChI=1S/C4H9N3O3.C2H4O2/c5-7-6-4(9)3-10-2-1-8;1-2(3)4/h4,8-9H,1-3H2;1H3,(H,3,4)
InChIKeyHGAHDUBYZIBHPM-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.29
Rot. Bonds5

About acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol

acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol (PubChem CID 175140766) has the molecular formula C6H13N3O5 and a molecular weight of 207.19 g/mol. Its IUPAC name is acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Nameacetic acid;1-azido-2-(2-hydroxyethoxy)ethanol
PubChem CID175140766
Molecular FormulaC6H13N3O5
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Nameacetic acid;1-azido-2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)O.[N-]=[N+]=NC(O)COCCO
InChIInChI=1S/C4H9N3O3.C2H4O2/c5-7-6-4(9)3-10-2-1-8;1-2(3)4/h4,8-9H,1-3H2;1H3,(H,3,4)
InChIKeyHGAHDUBYZIBHPM-UHFFFAOYSA-N
XLogP-0.29
TPSA135.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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

1-azido-2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90413267
1-azido-2-(2-hydroxyethoxy)ethanol;4-methylbenzenesulfonic acid
CID 175345739
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-[2-[2-[2-(2-azido-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 171777142
acetic acid;1-(2-hydroxyethoxy)hexan-2-ol
CID 87319718
but-2-enedioic acid;1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 163538655
acetic acid;2-(hydroxymethoxy)ethanol
CID 53447013
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-(2-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
CID 175892963

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol?
The IUPAC name of acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol (CID 175140766) is acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol is CC(=O)O.[N-]=[N+]=NC(O)COCCO.
What is the InChIKey of acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol?
The InChIKey is HGAHDUBYZIBHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3.C2H4O2/c5-7-6-4(9)3-10-2-1-8;1-2(3)4/h4,8-9H,1-3H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol?
acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol has a molecular weight of 207.19 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 175140766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).