2-(4-carbamoylpiperidin-1-yl)acetic acid

C8H14N2O3 — CID 3159669

IUPAC2-(4-carbamoylpiperidin-1-yl)acetic acid
SMILESNC(=O)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c9-8(13)6-1-3-10(4-2-6)5-7(11)12/h6H,1-5H2,(H2,9,13)(H,11,12)
InChIKeyPVJWJKSVBRBLLM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds3

About 2-(4-carbamoylpiperidin-1-yl)acetic acid

2-(4-carbamoylpiperidin-1-yl)acetic acid (PubChem CID 3159669) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoylpiperidin-1-yl)acetic acid
PubChem CID3159669
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(4-carbamoylpiperidin-1-yl)acetic acid
SMILESNC(=O)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c9-8(13)6-1-3-10(4-2-6)5-7(11)12/h6H,1-5H2,(H2,9,13)(H,11,12)
InChIKeyPVJWJKSVBRBLLM-UHFFFAOYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-carbamoylpiperidin-1-yl)acetic acid (CID 3159669) is 2-(4-carbamoylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-carbamoylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-carbamoylpiperidin-1-yl)acetic acid is NC(=O)C1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-carbamoylpiperidin-1-yl)acetic acid?
The InChIKey is PVJWJKSVBRBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-8(13)6-1-3-10(4-2-6)5-7(11)12/h6H,1-5H2,(H2,9,13)(H,11,12).
What are the key properties of 2-(4-carbamoylpiperidin-1-yl)acetic acid?
2-(4-carbamoylpiperidin-1-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 3159669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).