[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate

C15H22N2O4 — CID 144971544

IUPAC[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@@H]1CC[C@H](N2C=CCC(C(N)=O)=C2)O1
InChIInChI=1S/C15H22N2O4/c1-2-4-14(18)20-10-12-6-7-13(21-12)17-8-3-5-11(9-17)15(16)19/h3,8-9,12-13H,2,4-7,10H2,1H3,(H2,16,19)/t12-,13+/m0/s1
InChIKeyGDJJQOONIAKKLW-QWHCGFSZSA-N
MW294.35 g/mol
LogP1.42
Rot. Bonds6

About [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate

[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate (PubChem CID 144971544) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate.

Molecular Properties

Compound Name[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate
PubChem CID144971544
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@@H]1CC[C@H](N2C=CCC(C(N)=O)=C2)O1
InChIInChI=1S/C15H22N2O4/c1-2-4-14(18)20-10-12-6-7-13(21-12)17-8-3-5-11(9-17)15(16)19/h3,8-9,12-13H,2,4-7,10H2,1H3,(H2,16,19)/t12-,13+/m0/s1
InChIKeyGDJJQOONIAKKLW-QWHCGFSZSA-N
XLogP1.42
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate?
The IUPAC name of [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate (CID 144971544) is [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate.
What is the SMILES notation for [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate?
The canonical SMILES for [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate is CCCC(=O)OC[C@@H]1CC[C@H](N2C=CCC(C(N)=O)=C2)O1.
What is the InChIKey of [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate?
The InChIKey is GDJJQOONIAKKLW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-4-14(18)20-10-12-6-7-13(21-12)17-8-3-5-11(9-17)15(16)19/h3,8-9,12-13H,2,4-7,10H2,1H3,(H2,16,19)/t12-,13+/m0/s1.
What are the key properties of [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate?
[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate has a molecular weight of 294.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate is sourced from PubChem (CID 144971544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).