cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C15H19NO4 — CID 125132569

IUPACcis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)[C@H](c2ccco2)C1
InChIInChI=1S/C15H19NO4/c1-9-4-5-16(12(7-9)13-3-2-6-20-13)14(17)10-8-11(10)15(18)19/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)/t9-,10-,11+,12+/m1/s1
InChIKeyLCJSRNBZOOJSCP-WYUUTHIRSA-N
MW277.32 g/mol
LogP2.30
Rot. Bonds3

About cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 125132569) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID125132569
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)[C@H](c2ccco2)C1
InChIInChI=1S/C15H19NO4/c1-9-4-5-16(12(7-9)13-3-2-6-20-13)14(17)10-8-11(10)15(18)19/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)/t9-,10-,11+,12+/m1/s1
InChIKeyLCJSRNBZOOJSCP-WYUUTHIRSA-N
XLogP2.30
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 125132569) is cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid is C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)[C@H](c2ccco2)C1.
What is the InChIKey of cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is LCJSRNBZOOJSCP-WYUUTHIRSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-4-5-16(12(7-9)13-3-2-6-20-13)14(17)10-8-11(10)15(18)19/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)/t9-,10-,11+,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125132569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).