[(3S)-pyrazolidin-3-yl] hydrogen carbonate

C4H8N2O3 — CID 70272128

IUPAC[(3S)-pyrazolidin-3-yl] hydrogen carbonate
SMILESO=C(O)O[C@H]1CCNN1
InChIInChI=1S/C4H8N2O3/c7-4(8)9-3-1-2-5-6-3/h3,5-6H,1-2H2,(H,7,8)/t3-/m0/s1
InChIKeyTUNOMTXYGZGWAH-VKHMYHEASA-N
MW132.12 g/mol
LogP-0.50
Rot. Bonds1

About [(3S)-pyrazolidin-3-yl] hydrogen carbonate

[(3S)-pyrazolidin-3-yl] hydrogen carbonate (PubChem CID 70272128) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is [(3S)-pyrazolidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(3S)-pyrazolidin-3-yl] hydrogen carbonate
PubChem CID70272128
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name[(3S)-pyrazolidin-3-yl] hydrogen carbonate
SMILESO=C(O)O[C@H]1CCNN1
InChIInChI=1S/C4H8N2O3/c7-4(8)9-3-1-2-5-6-3/h3,5-6H,1-2H2,(H,7,8)/t3-/m0/s1
InChIKeyTUNOMTXYGZGWAH-VKHMYHEASA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-diazinane-3,4-dicarboxylic acid
CID 70072586
(1,1,5-trioxo-1,4-thiazinan-3-yl) hydrogen carbonate
CID 67931092
[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626
(4,5,8-tricarboxyoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) hydrogen carbonate
CID 89439908
diazepane-5-carboxylic acid
CID 154304765
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370
(3S)-(1,2-15N2)diazinane-3-carboxylic acid
CID 10820561
carboxy pyrrolidin-2-yl carbonate
CID 129113549
cycloheptyl hydrogen carbonate
CID 23179405
(3-carboxyoxyaziridin-2-yl) hydrogen carbonate
CID 22994594
(3S)-diazepane-3-carboxylic acid
CID 124707549
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrazolidin-3-yl] hydrogen carbonate?
The IUPAC name of [(3S)-pyrazolidin-3-yl] hydrogen carbonate (CID 70272128) is [(3S)-pyrazolidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [(3S)-pyrazolidin-3-yl] hydrogen carbonate?
The canonical SMILES for [(3S)-pyrazolidin-3-yl] hydrogen carbonate is O=C(O)O[C@H]1CCNN1.
What is the InChIKey of [(3S)-pyrazolidin-3-yl] hydrogen carbonate?
The InChIKey is TUNOMTXYGZGWAH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O3/c7-4(8)9-3-1-2-5-6-3/h3,5-6H,1-2H2,(H,7,8)/t3-/m0/s1.
What are the key properties of [(3S)-pyrazolidin-3-yl] hydrogen carbonate?
[(3S)-pyrazolidin-3-yl] hydrogen carbonate has a molecular weight of 132.12 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrazolidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 70272128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).