(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid

C10H15N5O3 — CID 155046869

IUPAC(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@H]1C[C@@H](Oc2cnc(NN)nc2)CN1C(=O)O
InChIInChI=1S/C10H15N5O3/c1-6-2-7(5-15(6)10(16)17)18-8-3-12-9(14-11)13-4-8/h3-4,6-7H,2,5,11H2,1H3,(H,16,17)(H,12,13,14)/t6-,7+/m0/s1
InChIKeyQOQWKCCUSRKZAE-NKWVEPMBSA-N
MW253.26 g/mol
LogP0.28
Rot. Bonds3

About (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid

(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 155046869) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid
PubChem CID155046869
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@H]1C[C@@H](Oc2cnc(NN)nc2)CN1C(=O)O
InChIInChI=1S/C10H15N5O3/c1-6-2-7(5-15(6)10(16)17)18-8-3-12-9(14-11)13-4-8/h3-4,6-7H,2,5,11H2,1H3,(H,16,17)(H,12,13,14)/t6-,7+/m0/s1
InChIKeyQOQWKCCUSRKZAE-NKWVEPMBSA-N
XLogP0.28
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,4R)-4-(2-bromopyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 154675892
Tert-butyl 4-[2-(2,2-dimethoxyethylamino)pyrimidin-5-yl]oxy-2-methylpyrrolidine-1-carboxylate
CID 154675931
tert-butyl (2S,4R)-4-[2-(2,2-dimethoxyethylamino)pyrimidin-5-yl]oxy-2-methylpyrrolidine-1-carboxylate
CID 154676025
tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 154676092
(2S,4R)-4-(2-bromopyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid
CID 155046857
(2S,4R)-4-[2-(2,2-dimethoxyethylamino)pyrimidin-5-yl]oxy-2-methylpyrrolidine-1-carboxylic acid
CID 155046868
(2S,4R)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-6-yloxy)pyrrolidine-1-carboxylic acid
CID 155046925
Tert-butyl 4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 155055118
tert-butyl (2S,4R)-2-methyl-4-(2-methylpyrimidin-5-yl)oxypyrrolidine-1-carboxylate
CID 156379364
tert-butyl (2S)-4-(2-bromopyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 164725080
tert-butyl (2S,4R)-4-(2-bromopyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate;hydrazine;hydrate
CID 165028062
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-pyrimidin-5-yloxypyrrolidine-1-carboxylate
CID 172140191

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid (CID 155046869) is (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid is C[C@H]1C[C@@H](Oc2cnc(NN)nc2)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is QOQWKCCUSRKZAE-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-6-2-7(5-15(6)10(16)17)18-8-3-12-9(14-11)13-4-8/h3-4,6-7H,2,5,11H2,1H3,(H,16,17)(H,12,13,14)/t6-,7+/m0/s1.
What are the key properties of (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid?
(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155046869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).