2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid

C14H20N2O4 — CID 83197337

IUPAC2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCc1cc(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)on1
InChIInChI=1S/C14H20N2O4/c1-9-7-11(20-15-9)12(17)16-6-4-5-10(8-16)14(2,3)13(18)19/h7,10H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyYGVQMSIZRQLMEP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.95
Rot. Bonds3

About 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 83197337) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID83197337
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCc1cc(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)on1
InChIInChI=1S/C14H20N2O4/c1-9-7-11(20-15-9)12(17)16-6-4-5-10(8-16)14(2,3)13(18)19/h7,10H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyYGVQMSIZRQLMEP-UHFFFAOYSA-N
XLogP1.95
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95297567
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92553909
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
2-[1-(3-bromobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198806
2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 154844231
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid (CID 83197337) is 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid is Cc1cc(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)on1.
What is the InChIKey of 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is YGVQMSIZRQLMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-7-11(20-15-9)12(17)16-6-4-5-10(8-16)14(2,3)13(18)19/h7,10H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83197337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).