1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid

C13H18N2O4 — CID 110837061

IUPAC1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1nocc1CCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O4/c1-9-11(8-19-14-9)2-3-12(16)15-6-4-10(5-7-15)13(17)18/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyRMRUFTVMRPOPLM-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.24
Rot. Bonds4

About 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid

1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 110837061) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID110837061
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1nocc1CCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O4/c1-9-11(8-19-14-9)2-3-12(16)15-6-4-10(5-7-15)13(17)18/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyRMRUFTVMRPOPLM-UHFFFAOYSA-N
XLogP1.24
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 141295992
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 110836609
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid
CID 110836103
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 120512240
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354480
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid (CID 110837061) is 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid is Cc1nocc1CCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is RMRUFTVMRPOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-11(8-19-14-9)2-3-12(16)15-6-4-10(5-7-15)13(17)18/h8,10H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 110837061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).