2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid

C12H22N2O3 — CID 61010692

IUPAC2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
SMILESCCCCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-3-7-13-12(17)14-8-5-4-6-10(14)9-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyNNOXCJPXZLFPKZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 61010692) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID61010692
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
SMILESCCCCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-3-7-13-12(17)14-8-5-4-6-10(14)9-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyNNOXCJPXZLFPKZ-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid (CID 61010692) is 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid is CCCCNC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is NNOXCJPXZLFPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-7-13-12(17)14-8-5-4-6-10(14)9-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).