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

C17H26N2O4 — CID 124691233

IUPAC3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid
SMILESCc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1
InChIInChI=1S/C17H26N2O4/c1-11(9-15-12(2)18-23-13(15)3)17(22)19-8-4-5-14(10-19)6-7-16(20)21/h11,14H,4-10H2,1-3H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyXNACWYCOWKBZBK-BXUZGUMPSA-N
MW322.41 g/mol
LogP2.57
Rot. Bonds6

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

3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid (PubChem CID 124691233) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid
PubChem CID124691233
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid
SMILESCc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1
InChIInChI=1S/C17H26N2O4/c1-11(9-15-12(2)18-23-13(15)3)17(22)19-8-4-5-14(10-19)6-7-16(20)21/h11,14H,4-10H2,1-3H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyXNACWYCOWKBZBK-BXUZGUMPSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid with MolForge

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Related Compounds

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 95774244
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121
3-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]propanoic acid
CID 79201596
3-[(3S)-1-[(2S)-3-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid
CID 124686743
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372864
N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
CID 97348611
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 66334339
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
CID 124689811

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid (CID 124691233) is 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid is Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid?
The InChIKey is XNACWYCOWKBZBK-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(9-15-12(2)18-23-13(15)3)17(22)19-8-4-5-14(10-19)6-7-16(20)21/h11,14H,4-10H2,1-3H3,(H,20,21)/t11-,14-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124691233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).