formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid

C14H24N2O5 — CID 171149675

IUPACformic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid
SMILESCCC=CCC(=O)NC1CCN(CC(=O)O)CC1.O=CO
InChIInChI=1S/C13H22N2O3.CH2O2/c1-2-3-4-5-12(16)14-11-6-8-15(9-7-11)10-13(17)18;2-1-3/h3-4,11H,2,5-10H2,1H3,(H,14,16)(H,17,18);1H,(H,2,3)
InChIKeyWLHTYYQHUFVWEL-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.71
Rot. Bonds6

About formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid

formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid (PubChem CID 171149675) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Nameformic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid
PubChem CID171149675
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Nameformic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid
SMILESCCC=CCC(=O)NC1CCN(CC(=O)O)CC1.O=CO
InChIInChI=1S/C13H22N2O3.CH2O2/c1-2-3-4-5-12(16)14-11-6-8-15(9-7-11)10-13(17)18;2-1-3/h3-4,11H,2,5-10H2,1H3,(H,14,16)(H,17,18);1H,(H,2,3)
InChIKeyWLHTYYQHUFVWEL-UHFFFAOYSA-N
XLogP0.71
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid?
The IUPAC name of formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid (CID 171149675) is formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid is CCC=CCC(=O)NC1CCN(CC(=O)O)CC1.O=CO.
What is the InChIKey of formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid?
The InChIKey is WLHTYYQHUFVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.CH2O2/c1-2-3-4-5-12(16)14-11-6-8-15(9-7-11)10-13(17)18;2-1-3/h3-4,11H,2,5-10H2,1H3,(H,14,16)(H,17,18);1H,(H,2,3).
What are the key properties of formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid?
formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid has a molecular weight of 300.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 171149675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).