2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid

C15H19NO4 — CID 4247237

IUPAC2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c17-14(18)9-13-7-4-8-16(10-13)15(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChIKeyYVOXXKXHRGVDOF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.51
Rot. Bonds4

About 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid

2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid (PubChem CID 4247237) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
PubChem CID4247237
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c17-14(18)9-13-7-4-8-16(10-13)15(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChIKeyYVOXXKXHRGVDOF-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid (CID 4247237) is 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid is O=C(O)CC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
The InChIKey is YVOXXKXHRGVDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)9-13-7-4-8-16(10-13)15(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18).
What are the key properties of 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 4247237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).