3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid

C14H23N3O4 — CID 62215982

IUPAC3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid
SMILESC=CCNC(=O)NC(=O)CN1CCCCC1CCC(=O)O
InChIInChI=1S/C14H23N3O4/c1-2-8-15-14(21)16-12(18)10-17-9-4-3-5-11(17)6-7-13(19)20/h2,11H,1,3-10H2,(H,19,20)(H2,15,16,18,21)
InChIKeyCIDRCPNULCMXBB-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.72
Rot. Bonds7

About 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid

3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid (PubChem CID 62215982) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid
PubChem CID62215982
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid
SMILESC=CCNC(=O)NC(=O)CN1CCCCC1CCC(=O)O
InChIInChI=1S/C14H23N3O4/c1-2-8-15-14(21)16-12(18)10-17-9-4-3-5-11(17)6-7-13(19)20/h2,11H,1,3-10H2,(H,19,20)(H2,15,16,18,21)
InChIKeyCIDRCPNULCMXBB-UHFFFAOYSA-N
XLogP0.72
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 116637853
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916141
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 62014153
methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-2-carboxylate
CID 47129787
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
3-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522344
2-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370158
1-[2-oxo-2-(prop-2-enylamino)ethyl]azepane-2-carboxylic acid
CID 64562180
3-[1-(3-methylbut-2-enyl)piperidin-2-yl]propanoic acid
CID 62218206
2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370516

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid (CID 62215982) is 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid is C=CCNC(=O)NC(=O)CN1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid?
The InChIKey is CIDRCPNULCMXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-8-15-14(21)16-12(18)10-17-9-4-3-5-11(17)6-7-13(19)20/h2,11H,1,3-10H2,(H,19,20)(H2,15,16,18,21).
What are the key properties of 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid?
3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).