3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid

C8H14N4O4 — CID 118326461

IUPAC3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
SMILESCOCOC1CCN(C(=O)O)CC1N=[N+]=[N-]
InChIInChI=1S/C8H14N4O4/c1-15-5-16-7-2-3-12(8(13)14)4-6(7)10-11-9/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyMKHDWWJLROJMBI-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.04
Rot. Bonds4

About 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid

3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid (PubChem CID 118326461) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
PubChem CID118326461
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
SMILESCOCOC1CCN(C(=O)O)CC1N=[N+]=[N-]
InChIInChI=1S/C8H14N4O4/c1-15-5-16-7-2-3-12(8(13)14)4-6(7)10-11-9/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyMKHDWWJLROJMBI-UHFFFAOYSA-N
XLogP1.04
TPSA107.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
CID 118326464
tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
CID 118329695
3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid
CID 137480495
(3S,4S)-3-azido-4-methoxypyrrolidine-1-carboxylic acid
CID 137480598
(3S,4R)-3,4-diazidopyrrolidine-1-carboxylic acid
CID 170159879
tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
CID 118661700
3-azido-4-prop-2-ynoxypyrrolidine-1-carboxylic acid
CID 91013284
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
tert-butyl 3-azido-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
CID 174214698
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415
ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 18643573
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268

Frequently Asked Questions

What is the IUPAC name of 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid (CID 118326461) is 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid is COCOC1CCN(C(=O)O)CC1N=[N+]=[N-].
What is the InChIKey of 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid?
The InChIKey is MKHDWWJLROJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-15-5-16-7-2-3-12(8(13)14)4-6(7)10-11-9/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid?
3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 118326461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).