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

C14H20N2O5 — CID 125452079

IUPAC4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid
SMILESCc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)oc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-10(12(17)18)20-11(15-8)9-5-6-16(7-9)13(19)21-14(2,3)4/h9H,5-7H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyFDTAAJJGGDKCPF-SECBINFHSA-N
MW296.32 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid

4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid (PubChem CID 125452079) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid
PubChem CID125452079
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid
SMILESCc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)oc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-10(12(17)18)20-11(15-8)9-5-6-16(7-9)13(19)21-14(2,3)4/h9H,5-7H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyFDTAAJJGGDKCPF-SECBINFHSA-N
XLogP2.41
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid (CID 125452079) is 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid is Cc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)oc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is FDTAAJJGGDKCPF-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8-10(12(17)18)20-11(15-8)9-5-6-16(7-9)13(19)21-14(2,3)4/h9H,5-7H2,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid?
4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 125452079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).