1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid

C11H15N3O4 — CID 81178491

IUPAC1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NCc1ccon1
InChIInChI=1S/C11H15N3O4/c15-10(16)9-3-1-2-5-14(9)11(17)12-7-8-4-6-18-13-8/h4,6,9H,1-3,5,7H2,(H,12,17)(H,15,16)
InChIKeyAJQRDWAIEFTORQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.82
Rot. Bonds3

About 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid

1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 81178491) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID81178491
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NCc1ccon1
InChIInChI=1S/C11H15N3O4/c15-10(16)9-3-1-2-5-14(9)11(17)12-7-8-4-6-18-13-8/h4,6,9H,1-3,5,7H2,(H,12,17)(H,15,16)
InChIKeyAJQRDWAIEFTORQ-UHFFFAOYSA-N
XLogP0.82
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 106744445
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 82873458
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64563323
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 106005540
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 139322097
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid (CID 81178491) is 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)NCc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is AJQRDWAIEFTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(16)9-3-1-2-5-14(9)11(17)12-7-8-4-6-18-13-8/h4,6,9H,1-3,5,7H2,(H,12,17)(H,15,16).
What are the key properties of 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 81178491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).