1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid

C10H19N3O3 — CID 58794027

IUPAC1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid
SMILESCNC(=O)NCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-11-10(16)12-4-6-13-5-2-3-8(7-13)9(14)15/h8H,2-7H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyABDGXNPMFUPKCX-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.29
Rot. Bonds4

About 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid

1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid (PubChem CID 58794027) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid
PubChem CID58794027
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid
SMILESCNC(=O)NCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-11-10(16)12-4-6-13-5-2-3-8(7-13)9(14)15/h8H,2-7H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyABDGXNPMFUPKCX-UHFFFAOYSA-N
XLogP-0.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid (CID 58794027) is 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid is CNC(=O)NCCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid?
The InChIKey is ABDGXNPMFUPKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-11-10(16)12-4-6-13-5-2-3-8(7-13)9(14)15/h8H,2-7H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid?
1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylcarbamoylamino)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 58794027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).