propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate

C14H25NO3 — CID 171485829

IUPACpropan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
SMILESCCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)OC(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-7-11-8-13(16)15(9-11)12(6-2)14(17)18-10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyLSGDIIFAUPVDCE-NEPJUHHUSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds6

About propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate

propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate (PubChem CID 171485829) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
PubChem CID171485829
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namepropan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
SMILESCCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)OC(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-7-11-8-13(16)15(9-11)12(6-2)14(17)18-10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyLSGDIIFAUPVDCE-NEPJUHHUSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate?
The IUPAC name of propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate (CID 171485829) is propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate?
The canonical SMILES for propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate is CCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate?
The InChIKey is LSGDIIFAUPVDCE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-7-11-8-13(16)15(9-11)12(6-2)14(17)18-10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate?
propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate is sourced from PubChem (CID 171485829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).