2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid

C12H20N2O4 — CID 63903003

IUPAC2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
SMILESC=CCNC(=O)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-2-5-13-11(15)8-14-6-3-10(4-7-14)18-9-12(16)17/h2,10H,1,3-9H2,(H,13,15)(H,16,17)
InChIKeySRTJJKWHGOPGDT-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.15
Rot. Bonds7

About 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63903003) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID63903003
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
SMILESC=CCNC(=O)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-2-5-13-11(15)8-14-6-3-10(4-7-14)18-9-12(16)17/h2,10H,1,3-9H2,(H,13,15)(H,16,17)
InChIKeySRTJJKWHGOPGDT-UHFFFAOYSA-N
XLogP-0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 87022015
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
CID 91829203
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824333
2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid (CID 63903003) is 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid is C=CCNC(=O)CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is SRTJJKWHGOPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-5-13-11(15)8-14-6-3-10(4-7-14)18-9-12(16)17/h2,10H,1,3-9H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63903003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).