3-hydroxy-4-methylidenepiperidine-1-carboxylic acid

C7H11NO3 — CID 67184004

IUPAC3-hydroxy-4-methylidenepiperidine-1-carboxylic acid
SMILESC=C1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H11NO3/c1-5-2-3-8(7(10)11)4-6(5)9/h6,9H,1-4H2,(H,10,11)
InChIKeyMOTGWHLULUGBBO-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.29
Rot. Bonds

About 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid

3-hydroxy-4-methylidenepiperidine-1-carboxylic acid (PubChem CID 67184004) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylidenepiperidine-1-carboxylic acid
PubChem CID67184004
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-hydroxy-4-methylidenepiperidine-1-carboxylic acid
SMILESC=C1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H11NO3/c1-5-2-3-8(7(10)11)4-6(5)9/h6,9H,1-4H2,(H,10,11)
InChIKeyMOTGWHLULUGBBO-UHFFFAOYSA-N
XLogP0.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid (CID 67184004) is 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid is C=C1CCN(C(=O)O)CC1O.
What is the InChIKey of 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid?
The InChIKey is MOTGWHLULUGBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-2-3-8(7(10)11)4-6(5)9/h6,9H,1-4H2,(H,10,11).
What are the key properties of 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid?
3-hydroxy-4-methylidenepiperidine-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylidenepiperidine-1-carboxylic acid is sourced from PubChem (CID 67184004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).