(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid

C16H28N2O5 — CID 69320155

IUPAC(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid
SMILESCCOC(=O)CCCN[C@H](CCC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-2-23-15(20)7-6-10-17-13(16(21)22)8-9-14(19)18-11-4-3-5-12-18/h13,17H,2-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyDCHCTGILLNQLTE-CYBMUJFWSA-N
MW328.41 g/mol
LogP1.17
Rot. Bonds10

About (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid

(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid (PubChem CID 69320155) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid
PubChem CID69320155
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid
SMILESCCOC(=O)CCCN[C@H](CCC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-2-23-15(20)7-6-10-17-13(16(21)22)8-9-14(19)18-11-4-3-5-12-18/h13,17H,2-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyDCHCTGILLNQLTE-CYBMUJFWSA-N
XLogP1.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid?
The IUPAC name of (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid (CID 69320155) is (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid?
The canonical SMILES for (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid is CCOC(=O)CCCN[C@H](CCC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid?
The InChIKey is DCHCTGILLNQLTE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-2-23-15(20)7-6-10-17-13(16(21)22)8-9-14(19)18-11-4-3-5-12-18/h13,17H,2-12H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid?
(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid has a molecular weight of 328.41 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 69320155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).