2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid

C15H25NO5 — CID 146218289

IUPAC2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C1CCC(CC(=O)O)O1
InChIInChI=1S/C15H25NO5/c1-15(2,3)21-14(19)16-8-4-5-11(16)12-7-6-10(20-12)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t10?,11-,12?/m0/s1
InChIKeyYVUILDZLFPQBHB-CXQJBGSLSA-N
MW299.37 g/mol
LogP2.41
Rot. Bonds3

About 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid

2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid (PubChem CID 146218289) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid
PubChem CID146218289
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C1CCC(CC(=O)O)O1
InChIInChI=1S/C15H25NO5/c1-15(2,3)21-14(19)16-8-4-5-11(16)12-7-6-10(20-12)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t10?,11-,12?/m0/s1
InChIKeyYVUILDZLFPQBHB-CXQJBGSLSA-N
XLogP2.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid (CID 146218289) is 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid is CC(C)(C)OC(=O)N1CCC[C@H]1C1CCC(CC(=O)O)O1.
What is the InChIKey of 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid?
The InChIKey is YVUILDZLFPQBHB-CXQJBGSLSA-N. The full InChI is InChI=1S/C15H25NO5/c1-15(2,3)21-14(19)16-8-4-5-11(16)12-7-6-10(20-12)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t10?,11-,12?/m0/s1.
What are the key properties of 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid?
2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]oxolan-2-yl]acetic acid is sourced from PubChem (CID 146218289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).