3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid

C13H19N3O4 — CID 81177584

IUPAC3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NCc2ccon2)CC1
InChIInChI=1S/C13H19N3O4/c17-12(18)2-1-10-3-6-16(7-4-10)13(19)14-9-11-5-8-20-15-11/h5,8,10H,1-4,6-7,9H2,(H,14,19)(H,17,18)
InChIKeyRTYQCIJTAMHUGI-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.46
Rot. Bonds5

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

3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 81177584) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID81177584
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NCc2ccon2)CC1
InChIInChI=1S/C13H19N3O4/c17-12(18)2-1-10-3-6-16(7-4-10)13(19)14-9-11-5-8-20-15-11/h5,8,10H,1-4,6-7,9H2,(H,14,19)(H,17,18)
InChIKeyRTYQCIJTAMHUGI-UHFFFAOYSA-N
XLogP1.46
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
CID 82873510
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
N-(1,2-oxazol-3-ylmethyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 126436027
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210475
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119064727
2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 106744445
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid (CID 81177584) is 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)NCc2ccon2)CC1.
What is the InChIKey of 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is RTYQCIJTAMHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-12(18)2-1-10-3-6-16(7-4-10)13(19)14-9-11-5-8-20-15-11/h5,8,10H,1-4,6-7,9H2,(H,14,19)(H,17,18).
What are the key properties of 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 81177584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).