(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid

C6H10N4O3 — CID 89466591

IUPAC(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILES[N-]=[N+]=NC[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C6H10N4O3/c7-9-8-2-4-1-5(11)3-10(4)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKeyDMJRICDMYZTKKU-CRCLSJGQSA-N
MW186.17 g/mol
LogP0.41
Rot. Bonds2

About (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid

(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 89466591) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID89466591
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILES[N-]=[N+]=NC[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C6H10N4O3/c7-9-8-2-4-1-5(11)3-10(4)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKeyDMJRICDMYZTKKU-CRCLSJGQSA-N
XLogP0.41
TPSA109.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.41
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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Related Compounds

tert-butyl (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 14117020
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid
CID 126509727
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 175152885
1-[(2S,4S)-4-azido-2-(azidomethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 21103635
(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
(2S,4R)-2-ethynyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87961970
(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 155212930
3-(azidomethyl)-4-hydroxypiperidine-1-carboxylic acid
CID 158692613
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 66605152

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 89466591) is (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid is [N-]=[N+]=NC[C@@H]1C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is DMJRICDMYZTKKU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10N4O3/c7-9-8-2-4-1-5(11)3-10(4)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1.
What are the key properties of (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 89466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).