5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid

C11H19N3O5 — CID 114598179

IUPAC5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)OC1CNCC(C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-6(9(15)14-11(18)12-2)19-8-3-7(10(16)17)4-13-5-8/h6-8,13H,3-5H2,1-2H3,(H,16,17)(H2,12,14,15,18)
InChIKeyZNCJKPQELRAJID-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.09
Rot. Bonds4

About 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid

5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid (PubChem CID 114598179) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid
PubChem CID114598179
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)OC1CNCC(C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-6(9(15)14-11(18)12-2)19-8-3-7(10(16)17)4-13-5-8/h6-8,13H,3-5H2,1-2H3,(H,16,17)(H2,12,14,15,18)
InChIKeyZNCJKPQELRAJID-UHFFFAOYSA-N
XLogP-1.09
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(methylcarbamoyl)-2-[(3S)-piperidin-3-yl]oxypropanamide
CID 106938610
5-(difluoromethoxy)piperidine-3-carboxylic acid
CID 130804723
5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid
CID 106453624
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide
CID 63106262
2-aminooxy-N-(methylcarbamoyl)propanamide
CID 106938638
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
CID 60917515
2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide
CID 81198095
methyl (2R)-2-(azetidin-3-yloxy)propanoate;2,2,2-trifluoroacetic acid
CID 66742601
2-(azetidin-3-yloxy)-N,N-dimethylpropanamide
CID 63106261
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate
CID 40620132
N-(2-methoxyethyl)-2-pyrrolidin-3-yloxypropanamide
CID 62327217
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate
CID 40620131

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid?
The IUPAC name of 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid (CID 114598179) is 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid.
What is the SMILES notation for 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid?
The canonical SMILES for 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid is CNC(=O)NC(=O)C(C)OC1CNCC(C(=O)O)C1.
What is the InChIKey of 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid?
The InChIKey is ZNCJKPQELRAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(9(15)14-11(18)12-2)19-8-3-7(10(16)17)4-13-5-8/h6-8,13H,3-5H2,1-2H3,(H,16,17)(H2,12,14,15,18).
What are the key properties of 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid?
5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid is sourced from PubChem (CID 114598179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).