2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride

C10H18ClNO4 — CID 71778948

IUPAC2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride
SMILESCCOC(=O)C1CCN(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13;/h8H,2-7H2,1H3,(H,12,13);1H
InChIKeyTZNPLQSBQFDISU-UHFFFAOYSA-N
MW251.71 g/mol
LogP0.77
Rot. Bonds4

About 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride

2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride (PubChem CID 71778948) has the molecular formula C10H18ClNO4 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride
PubChem CID71778948
Molecular FormulaC10H18ClNO4
Molecular Weight251.71 g/mol
Exact Mass251.09
IUPAC Name2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride
SMILESCCOC(=O)C1CCN(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13;/h8H,2-7H2,1H3,(H,12,13);1H
InChIKeyTZNPLQSBQFDISU-UHFFFAOYSA-N
XLogP0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride (CID 71778948) is 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride is CCOC(=O)C1CCN(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride?
The InChIKey is TZNPLQSBQFDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.ClH/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13;/h8H,2-7H2,1H3,(H,12,13);1H.
What are the key properties of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride?
2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 71778948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).