2-(6-oxopiperidin-2-yl)acetic acid

C7H11NO3 — CID 14507691

IUPAC2-(6-oxopiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCC(=O)N1
InChIInChI=1S/C7H11NO3/c9-6-3-1-2-5(8-6)4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKeyGQAFTUMTSHDPRD-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds2

About 2-(6-oxopiperidin-2-yl)acetic acid

2-(6-oxopiperidin-2-yl)acetic acid (PubChem CID 14507691) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(6-oxopiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxopiperidin-2-yl)acetic acid
PubChem CID14507691
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(6-oxopiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCC(=O)N1
InChIInChI=1S/C7H11NO3/c9-6-3-1-2-5(8-6)4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKeyGQAFTUMTSHDPRD-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopiperidin-2-yl)acetic acid?
The IUPAC name of 2-(6-oxopiperidin-2-yl)acetic acid (CID 14507691) is 2-(6-oxopiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-oxopiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(6-oxopiperidin-2-yl)acetic acid is O=C(O)CC1CCCC(=O)N1.
What is the InChIKey of 2-(6-oxopiperidin-2-yl)acetic acid?
The InChIKey is GQAFTUMTSHDPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-3-1-2-5(8-6)4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11).
What are the key properties of 2-(6-oxopiperidin-2-yl)acetic acid?
2-(6-oxopiperidin-2-yl)acetic acid has a molecular weight of 157.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopiperidin-2-yl)acetic acid is sourced from PubChem (CID 14507691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).