2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid

C13H21NO4 — CID 43172521

IUPAC2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C13H21NO4/c1-13(12(16)17,9-4-5-9)14-11(15)7-6-10-3-2-8-18-10/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeySIOIHRATSCSHDK-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds6

About 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid

2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid (PubChem CID 43172521) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid
PubChem CID43172521
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C13H21NO4/c1-13(12(16)17,9-4-5-9)14-11(15)7-6-10-3-2-8-18-10/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeySIOIHRATSCSHDK-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid (CID 43172521) is 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid is CC(NC(=O)CCC1CCCO1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The InChIKey is SIOIHRATSCSHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(12(16)17,9-4-5-9)14-11(15)7-6-10-3-2-8-18-10/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 43172521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).