3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid

C17H26N2O4 — CID 120536908

IUPAC3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid
SMILESCc1noc(C)c1C(C)CC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C17H26N2O4/c1-11(17-12(2)18-23-13(17)3)10-15(20)19-9-5-4-6-14(19)7-8-16(21)22/h11,14H,4-10H2,1-3H3,(H,21,22)
InChIKeyLJCKRBIMCDBWNZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.03
Rot. Bonds6

About 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid

3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid (PubChem CID 120536908) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid
PubChem CID120536908
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid
SMILESCc1noc(C)c1C(C)CC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C17H26N2O4/c1-11(17-12(2)18-23-13(17)3)10-15(20)19-9-5-4-6-14(19)7-8-16(21)22/h11,14H,4-10H2,1-3H3,(H,21,22)
InChIKeyLJCKRBIMCDBWNZ-UHFFFAOYSA-N
XLogP3.03
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681947
3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681946
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421365
1-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 95111667
3-[(2R)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124698919
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 136534661
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-[(2R)-1-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124682062
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
3-[(2R)-1-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]piperidin-2-yl]propanoic acid
CID 124701197

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid (CID 120536908) is 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid is Cc1noc(C)c1C(C)CC(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is LJCKRBIMCDBWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(17-12(2)18-23-13(17)3)10-15(20)19-9-5-4-6-14(19)7-8-16(21)22/h11,14H,4-10H2,1-3H3,(H,21,22).
What are the key properties of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid?
3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 120536908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).