3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid

C14H22N2O3 — CID 115086113

IUPAC3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
SMILESCC(C)N1CCCC1Cc1ncc(CCC(=O)O)o1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-7-3-4-11(16)8-13-15-9-12(19-13)5-6-14(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyWWQVJXNBGIDKOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.11
Rot. Bonds6

About 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid

3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid (PubChem CID 115086113) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
PubChem CID115086113
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
SMILESCC(C)N1CCCC1Cc1ncc(CCC(=O)O)o1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-7-3-4-11(16)8-13-15-9-12(19-13)5-6-14(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyWWQVJXNBGIDKOZ-UHFFFAOYSA-N
XLogP2.11
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086271
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115085991
3-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086428
5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-amine
CID 115093563
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090781
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115082879
3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
CID 115016405
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086163
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid (CID 115086113) is 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid is CC(C)N1CCCC1Cc1ncc(CCC(=O)O)o1.
What is the InChIKey of 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is WWQVJXNBGIDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-7-3-4-11(16)8-13-15-9-12(19-13)5-6-14(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid?
3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 115086113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).