(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

C8H15N5O2 — CID 155212930

IUPAC(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)C[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)O
InChIInChI=1S/C8H15N5O2/c1-12(2)5-7-3-6(10-11-9)4-13(7)8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyUECZHIVKXQLAJM-RQJHMYQMSA-N
MW213.24 g/mol
LogP0.98
Rot. Bonds3

About (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 155212930) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
PubChem CID155212930
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)C[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)O
InChIInChI=1S/C8H15N5O2/c1-12(2)5-7-3-6(10-11-9)4-13(7)8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyUECZHIVKXQLAJM-RQJHMYQMSA-N
XLogP0.98
TPSA92.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
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

(2S,4R)-4-azido-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid
CID 155212223
(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 174239986
(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
CID 90986921
methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate
CID 21341750
tert-butyl (2S,4R)-4-azido-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 58303468
1-[(2S,4S)-4-azido-2-(azidomethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 21103635
(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 89466591
(2R,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14842622
tert-butyl 4-azido-2-(triazol-2-ylmethyl)pyrrolidine-1-carboxylate
CID 175594833
(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
CID 165495284
tert-butyl (2S,4R)-4-azido-2-methylpyrrolidine-1-carboxylate
CID 59556056
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (CID 155212930) is (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is CN(C)C[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is UECZHIVKXQLAJM-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-12(2)5-7-3-6(10-11-9)4-13(7)8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155212930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).