3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid

C7H12N4O3 — CID 158692613

IUPAC3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid
SMILES[N-]=[N+]=NCC1CN(C(=O)O)CCC1O
InChIInChI=1S/C7H12N4O3/c8-10-9-3-5-4-11(7(13)14)2-1-6(5)12/h5-6,12H,1-4H2,(H,13,14)
InChIKeyFVVGFGHAIABNFQ-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.66
Rot. Bonds2

About 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid

3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 158692613) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID158692613
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid
SMILES[N-]=[N+]=NCC1CN(C(=O)O)CCC1O
InChIInChI=1S/C7H12N4O3/c8-10-9-3-5-4-11(7(13)14)2-1-6(5)12/h5-6,12H,1-4H2,(H,13,14)
InChIKeyFVVGFGHAIABNFQ-UHFFFAOYSA-N
XLogP0.66
TPSA109.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid (CID 158692613) is 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid is [N-]=[N+]=NCC1CN(C(=O)O)CCC1O.
What is the InChIKey of 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is FVVGFGHAIABNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-10-9-3-5-4-11(7(13)14)2-1-6(5)12/h5-6,12H,1-4H2,(H,13,14).
What are the key properties of 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid?
3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 158692613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).