1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C12H22N2O4 — CID 43385843

IUPAC1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCOCCNC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-9(11(15)13-5-8-18-2)14-6-3-10(4-7-14)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVDFPLROABIGXDC-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.07
Rot. Bonds6

About 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 43385843) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID43385843
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCOCCNC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-9(11(15)13-5-8-18-2)14-6-3-10(4-7-14)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVDFPLROABIGXDC-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 43385843) is 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is COCCNC(=O)C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is VDFPLROABIGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(11(15)13-5-8-18-2)14-6-3-10(4-7-14)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).