carboxy hydrogen carbonate;piperidine

C7H13NO5 — CID 22612490

IUPACcarboxy hydrogen carbonate;piperidine
SMILESC1CCNCC1.O=C(O)OC(=O)O
InChIInChI=1S/C5H11N.C2H2O5/c1-2-4-6-5-3-1;3-1(4)7-2(5)6/h6H,1-5H2;(H,3,4)(H,5,6)
InChIKeyGXJRXAKVXXTTQC-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.12
Rot. Bonds

About carboxy hydrogen carbonate;piperidine

carboxy hydrogen carbonate;piperidine (PubChem CID 22612490) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is carboxy hydrogen carbonate;piperidine.

Molecular Properties

Compound Namecarboxy hydrogen carbonate;piperidine
PubChem CID22612490
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Namecarboxy hydrogen carbonate;piperidine
SMILESC1CCNCC1.O=C(O)OC(=O)O
InChIInChI=1S/C5H11N.C2H2O5/c1-2-4-6-5-3-1;3-1(4)7-2(5)6/h6H,1-5H2;(H,3,4)(H,5,6)
InChIKeyGXJRXAKVXXTTQC-UHFFFAOYSA-N
XLogP1.12
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxy hydrogen carbonate;piperidine?
The IUPAC name of carboxy hydrogen carbonate;piperidine (CID 22612490) is carboxy hydrogen carbonate;piperidine.
What is the SMILES notation for carboxy hydrogen carbonate;piperidine?
The canonical SMILES for carboxy hydrogen carbonate;piperidine is C1CCNCC1.O=C(O)OC(=O)O.
What is the InChIKey of carboxy hydrogen carbonate;piperidine?
The InChIKey is GXJRXAKVXXTTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H2O5/c1-2-4-6-5-3-1;3-1(4)7-2(5)6/h6H,1-5H2;(H,3,4)(H,5,6).
What are the key properties of carboxy hydrogen carbonate;piperidine?
carboxy hydrogen carbonate;piperidine has a molecular weight of 191.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy hydrogen carbonate;piperidine is sourced from PubChem (CID 22612490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).