4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid

C11H15N3O4 — CID 90706752

IUPAC4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1cnco1
InChIInChI=1S/C11H15N3O4/c15-10(9-6-12-7-18-9)13-5-8-1-3-14(4-2-8)11(16)17/h6-8H,1-5H2,(H,13,15)(H,16,17)
InChIKeyNRYCCZDTLCVROM-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.79
Rot. Bonds3

About 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid

4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 90706752) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID90706752
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1cnco1
InChIInChI=1S/C11H15N3O4/c15-10(9-6-12-7-18-9)13-5-8-1-3-14(4-2-8)11(16)17/h6-8H,1-5H2,(H,13,15)(H,16,17)
InChIKeyNRYCCZDTLCVROM-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 91092314
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90895817
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 110117431
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90695043
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110849651
N-propyl-1,3-oxazole-5-carboxamide
CID 69350918
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90775535

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 90706752) is 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1CCN(C(=O)O)CC1)c1cnco1.
What is the InChIKey of 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is NRYCCZDTLCVROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(9-6-12-7-18-9)13-5-8-1-3-14(4-2-8)11(16)17/h6-8H,1-5H2,(H,13,15)(H,16,17).
What are the key properties of 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90706752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).