3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid

C14H20N2O5 — CID 175142002

IUPAC3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1cc(C(=O)O)on1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-5-10(16)7-9-8-11(12(17)18)21-15-9/h8,10H,4-7H2,1-3H3,(H,17,18)
InChIKeyXUQMQBMELFPFEC-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.31
Rot. Bonds3

About 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 175142002) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID175142002
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1cc(C(=O)O)on1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-5-10(16)7-9-8-11(12(17)18)21-15-9/h8,10H,4-7H2,1-3H3,(H,17,18)
InChIKeyXUQMQBMELFPFEC-UHFFFAOYSA-N
XLogP2.31
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 155598499
tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 56950044
tert-butyl (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 50905469
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-[(3-amino-4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 82279506
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606
tert-butyl 2-[(1,2-oxazol-3-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 106638873
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid (CID 175142002) is 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid is CC(C)(C)OC(=O)N1CCCC1Cc1cc(C(=O)O)on1.
What is the InChIKey of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is XUQMQBMELFPFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-5-10(16)7-9-8-11(12(17)18)21-15-9/h8,10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid?
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 175142002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).