1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C13H20N2O4 — CID 113408761

IUPAC1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O4/c1-9(10(16)15-7-3-2-4-8-15)14-11(17)13(5-6-13)12(18)19/h9H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyZQUCMICKQMRCTB-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds4

About 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 113408761) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID113408761
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O4/c1-9(10(16)15-7-3-2-4-8-15)14-11(17)13(5-6-13)12(18)19/h9H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyZQUCMICKQMRCTB-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 113408761) is 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CC1)C(=O)N1CCCCC1.
What is the InChIKey of 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZQUCMICKQMRCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(10(16)15-7-3-2-4-8-15)14-11(17)13(5-6-13)12(18)19/h9H,2-8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113408761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).