4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid

C9H16N2O4 — CID 71118297

IUPAC4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
SMILESCNC(=O)C1(CO)CCN(C(=O)O)CC1
InChIInChI=1S/C9H16N2O4/c1-10-7(13)9(6-12)2-4-11(5-3-9)8(14)15/h12H,2-6H2,1H3,(H,10,13)(H,14,15)
InChIKeyNTAVTMCJLBABOF-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.52
Rot. Bonds2

About 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid

4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid (PubChem CID 71118297) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
PubChem CID71118297
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
SMILESCNC(=O)C1(CO)CCN(C(=O)O)CC1
InChIInChI=1S/C9H16N2O4/c1-10-7(13)9(6-12)2-4-11(5-3-9)8(14)15/h12H,2-6H2,1H3,(H,10,13)(H,14,15)
InChIKeyNTAVTMCJLBABOF-UHFFFAOYSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid (CID 71118297) is 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid is CNC(=O)C1(CO)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid?
The InChIKey is NTAVTMCJLBABOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10-7(13)9(6-12)2-4-11(5-3-9)8(14)15/h12H,2-6H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid?
4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 71118297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).