2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid

C12H19NO4 — CID 81324373

IUPAC2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
SMILESCC1CCC(C(=O)NC(C)(C(=O)O)C2CC2)O1
InChIInChI=1S/C12H19NO4/c1-7-3-6-9(17-7)10(14)13-12(2,11(15)16)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWRBHVDHPHVTGJJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.92
Rot. Bonds4

About 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid (PubChem CID 81324373) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
PubChem CID81324373
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
SMILESCC1CCC(C(=O)NC(C)(C(=O)O)C2CC2)O1
InChIInChI=1S/C12H19NO4/c1-7-3-6-9(17-7)10(14)13-12(2,11(15)16)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWRBHVDHPHVTGJJ-UHFFFAOYSA-N
XLogP0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid (CID 81324373) is 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid is CC1CCC(C(=O)NC(C)(C(=O)O)C2CC2)O1.
What is the InChIKey of 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid?
The InChIKey is WRBHVDHPHVTGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-3-6-9(17-7)10(14)13-12(2,11(15)16)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81324373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).