3-(1-carbamoylpiperidin-4-yl)propanoic acid

C9H16N2O3 — CID 62218186

IUPAC3-(1-carbamoylpiperidin-4-yl)propanoic acid
SMILESNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c10-9(14)11-5-3-7(4-6-11)1-2-8(12)13/h7H,1-6H2,(H2,10,14)(H,12,13)
InChIKeyHRTRFILYGQLHPI-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.64
Rot. Bonds3

About 3-(1-carbamoylpiperidin-4-yl)propanoic acid

3-(1-carbamoylpiperidin-4-yl)propanoic acid (PubChem CID 62218186) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(1-carbamoylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-carbamoylpiperidin-4-yl)propanoic acid
PubChem CID62218186
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(1-carbamoylpiperidin-4-yl)propanoic acid
SMILESNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c10-9(14)11-5-3-7(4-6-11)1-2-8(12)13/h7H,1-6H2,(H2,10,14)(H,12,13)
InChIKeyHRTRFILYGQLHPI-UHFFFAOYSA-N
XLogP0.64
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-carbamoylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-carbamoylpiperidin-4-yl)propanoic acid (CID 62218186) is 3-(1-carbamoylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-carbamoylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-carbamoylpiperidin-4-yl)propanoic acid is NC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-carbamoylpiperidin-4-yl)propanoic acid?
The InChIKey is HRTRFILYGQLHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-9(14)11-5-3-7(4-6-11)1-2-8(12)13/h7H,1-6H2,(H2,10,14)(H,12,13).
What are the key properties of 3-(1-carbamoylpiperidin-4-yl)propanoic acid?
3-(1-carbamoylpiperidin-4-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-carbamoylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62218186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).