4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid

C12H20N2O5 — CID 66238553

IUPAC4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCCCC1CO
InChIInChI=1S/C12H20N2O5/c15-5-8-3-1-2-4-14(8)12(18)13-10-7-19-6-9(10)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)
InChIKeyDRKCIUZLFSYGHU-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.36
Rot. Bonds3

About 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid

4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 66238553) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID66238553
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCCCC1CO
InChIInChI=1S/C12H20N2O5/c15-5-8-3-1-2-4-14(8)12(18)13-10-7-19-6-9(10)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)
InChIKeyDRKCIUZLFSYGHU-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (CID 66238553) is 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NC(=O)N1CCCCC1CO.
What is the InChIKey of 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is DRKCIUZLFSYGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-5-8-3-1-2-4-14(8)12(18)13-10-7-19-6-9(10)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17).
What are the key properties of 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).