4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid

C14H24N2O4 — CID 106981085

IUPAC4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
SMILESCC(C)C1(C(=O)NC2(C(=O)O)CCOCC2)CCNC1
InChIInChI=1S/C14H24N2O4/c1-10(2)13(3-6-15-9-13)11(17)16-14(12(18)19)4-7-20-8-5-14/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRABALWJDITZDGL-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.37
Rot. Bonds4

About 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid

4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid (PubChem CID 106981085) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
PubChem CID106981085
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
SMILESCC(C)C1(C(=O)NC2(C(=O)O)CCOCC2)CCNC1
InChIInChI=1S/C14H24N2O4/c1-10(2)13(3-6-15-9-13)11(17)16-14(12(18)19)4-7-20-8-5-14/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRABALWJDITZDGL-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid (CID 106981085) is 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid is CC(C)C1(C(=O)NC2(C(=O)O)CCOCC2)CCNC1.
What is the InChIKey of 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid?
The InChIKey is RABALWJDITZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)13(3-6-15-9-13)11(17)16-14(12(18)19)4-7-20-8-5-14/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid?
4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 106981085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).