4-(2-formylcyclopropyl)piperidine-1-carboxylic acid

C10H15NO3 — CID 87207537

IUPAC4-(2-formylcyclopropyl)piperidine-1-carboxylic acid
SMILESO=CC1CC1C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H15NO3/c12-6-8-5-9(8)7-1-3-11(4-2-7)10(13)14/h6-9H,1-5H2,(H,13,14)
InChIKeyVJDUVOCSAUSXDY-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.21
Rot. Bonds2

About 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid

4-(2-formylcyclopropyl)piperidine-1-carboxylic acid (PubChem CID 87207537) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-formylcyclopropyl)piperidine-1-carboxylic acid
PubChem CID87207537
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(2-formylcyclopropyl)piperidine-1-carboxylic acid
SMILESO=CC1CC1C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H15NO3/c12-6-8-5-9(8)7-1-3-11(4-2-7)10(13)14/h6-9H,1-5H2,(H,13,14)
InChIKeyVJDUVOCSAUSXDY-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid (CID 87207537) is 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid is O=CC1CC1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid?
The InChIKey is VJDUVOCSAUSXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-6-8-5-9(8)7-1-3-11(4-2-7)10(13)14/h6-9H,1-5H2,(H,13,14).
What are the key properties of 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid?
4-(2-formylcyclopropyl)piperidine-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylcyclopropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87207537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).