4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

C13H22N2O5 — CID 66247521

IUPAC4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1CC(OC)CN1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-15(11-7-20-6-9(11)13(17)18)12(16)10-4-8(19-2)5-14-10/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyYRNPQQZAUCLAJP-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.69
Rot. Bonds5

About 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247521) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66247521
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1CC(OC)CN1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-15(11-7-20-6-9(11)13(17)18)12(16)10-4-8(19-2)5-14-10/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyYRNPQQZAUCLAJP-UHFFFAOYSA-N
XLogP-0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
N-cyclopentyl-N-ethyl-4-methoxypyrrolidine-2-carboxamide
CID 61213590
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661
4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239535
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66247521) is 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)C1CC(OC)CN1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YRNPQQZAUCLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-15(11-7-20-6-9(11)13(17)18)12(16)10-4-8(19-2)5-14-10/h8-11,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).