1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H18N2O5 — CID 90704051

IUPAC1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=CN1CCCC1(C(=O)O)C(=O)N1CCCCC1O
InChIInChI=1S/C12H18N2O5/c15-8-13-6-3-5-12(13,11(18)19)10(17)14-7-2-1-4-9(14)16/h8-9,16H,1-7H2,(H,18,19)
InChIKeyQDKFJODADNNXTL-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.61
Rot. Bonds3

About 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 90704051) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID90704051
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=CN1CCCC1(C(=O)O)C(=O)N1CCCCC1O
InChIInChI=1S/C12H18N2O5/c15-8-13-6-3-5-12(13,11(18)19)10(17)14-7-2-1-4-9(14)16/h8-9,16H,1-7H2,(H,18,19)
InChIKeyQDKFJODADNNXTL-UHFFFAOYSA-N
XLogP-0.61
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 90704051) is 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=CN1CCCC1(C(=O)O)C(=O)N1CCCCC1O.
What is the InChIKey of 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QDKFJODADNNXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-8-13-6-3-5-12(13,11(18)19)10(17)14-7-2-1-4-9(14)16/h8-9,16H,1-7H2,(H,18,19).
What are the key properties of 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-2-(2-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90704051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).