formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C16H21N3O6 — CID 154914584

IUPACformic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1.O=CO
InChIInChI=1S/C15H19N3O4.CH2O2/c19-13-9-18(14(20)10-17-5-6-22-15(17)21)8-12(13)7-11-1-3-16-4-2-11;2-1-3/h1-4,12-13,19H,5-10H2;1H,(H,2,3)/t12-,13-;/m1./s1
InChIKeyRDYXPMWMXZLKPS-OJERSXHUSA-N
MW351.36 g/mol
LogP-0.40
Rot. Bonds4

About formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 154914584) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameformic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID154914584
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Nameformic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1.O=CO
InChIInChI=1S/C15H19N3O4.CH2O2/c19-13-9-18(14(20)10-17-5-6-22-15(17)21)8-12(13)7-11-1-3-16-4-2-11;2-1-3/h1-4,12-13,19H,5-10H2;1H,(H,2,3)/t12-,13-;/m1./s1
InChIKeyRDYXPMWMXZLKPS-OJERSXHUSA-N
XLogP-0.40
TPSA120.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 135094089
3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 134712083
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134709988
N-[[(3S,4S)-3-hydroxy-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-4-yl]methyl]benzamide
CID 56915030
1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 134698022
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
(3-fluoro-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155917184
3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 135103434
3-[2-oxo-2-[(1R,5S)-7-oxo-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1,3-oxazolidin-2-one
CID 133118365
3-[2-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 133111541
5-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethoxy]-3,4,7-trimethylchromen-2-one
CID 171909404
(1,2-dimethylpyrrol-3-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135093804

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 154914584) is formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1.O=CO.
What is the InChIKey of formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is RDYXPMWMXZLKPS-OJERSXHUSA-N. The full InChI is InChI=1S/C15H19N3O4.CH2O2/c19-13-9-18(14(20)10-17-5-6-22-15(17)21)8-12(13)7-11-1-3-16-4-2-11;2-1-3/h1-4,12-13,19H,5-10H2;1H,(H,2,3)/t12-,13-;/m1./s1.
What are the key properties of formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 351.36 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154914584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).