2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

C13H24N2O5 — CID 68920473

IUPAC2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)O)C1CCO
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-11(17)14-9-5-4-7-15(12(18)19)10(9)6-8-16/h9-10,16H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyWZLIAJJPKITBEC-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 68920473) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID68920473
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)O)C1CCO
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-11(17)14-9-5-4-7-15(12(18)19)10(9)6-8-16/h9-10,16H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyWZLIAJJPKITBEC-UHFFFAOYSA-N
XLogP1.40
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 68920473) is 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CCCN(C(=O)O)C1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is WZLIAJJPKITBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(2,3)20-11(17)14-9-5-4-7-15(12(18)19)10(9)6-8-16/h9-10,16H,4-8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68920473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).