1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid

C12H19N3O4 — CID 43386141

IUPAC1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O4/c1-2-5-13-12(19)14-10(16)8-15-6-3-9(4-7-15)11(17)18/h2,9H,1,3-8H2,(H,17,18)(H2,13,14,16,19)
InChIKeyLBWMBVKRXTZFBJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.21
Rot. Bonds5

About 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid (PubChem CID 43386141) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid
PubChem CID43386141
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O4/c1-2-5-13-12(19)14-10(16)8-15-6-3-9(4-7-15)11(17)18/h2,9H,1,3-8H2,(H,17,18)(H2,13,14,16,19)
InChIKeyLBWMBVKRXTZFBJ-UHFFFAOYSA-N
XLogP-0.21
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid (CID 43386141) is 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid is C=CCNC(=O)NC(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is LBWMBVKRXTZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-5-13-12(19)14-10(16)8-15-6-3-9(4-7-15)11(17)18/h2,9H,1,3-8H2,(H,17,18)(H2,13,14,16,19).
What are the key properties of 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43386141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).