4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C14H24N2O5 — CID 102962016

IUPAC4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCC(C)C(O)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-16(11-8-21-7-10(11)13(18)19)14(20)15-5-4-9(2)12(17)6-15/h9-12,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyFKWIQHMKKBQWOJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.23
Rot. Bonds3

About 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 102962016) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID102962016
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCC(C)C(O)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-16(11-8-21-7-10(11)13(18)19)14(20)15-5-4-9(2)12(17)6-15/h9-12,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyFKWIQHMKKBQWOJ-UHFFFAOYSA-N
XLogP0.23
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 102962016) is 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)N1CCC(C)C(O)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FKWIQHMKKBQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-16(11-8-21-7-10(11)13(18)19)14(20)15-5-4-9(2)12(17)6-15/h9-12,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102962016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).