2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

C11H17NO4 — CID 102956648

IUPAC2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CC2C(=O)O)CC1O
InChIInChI=1S/C11H17NO4/c1-6-2-3-12(5-9(6)13)10(14)7-4-8(7)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)
InChIKeyJYDWYTLNDSLBBY-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.06
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 102956648) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID102956648
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CC2C(=O)O)CC1O
InChIInChI=1S/C11H17NO4/c1-6-2-3-12(5-9(6)13)10(14)7-4-8(7)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)
InChIKeyJYDWYTLNDSLBBY-UHFFFAOYSA-N
XLogP-0.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 102956648) is 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is CC1CCN(C(=O)C2CC2C(=O)O)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is JYDWYTLNDSLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-6-2-3-12(5-9(6)13)10(14)7-4-8(7)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102956648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).