5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid

C13H22N2O5 — CID 102962024

IUPAC5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CCC(C(=O)O)O2)CC1O
InChIInChI=1S/C13H22N2O5/c1-8-4-5-15(7-10(8)16)13(19)14-6-9-2-3-11(20-9)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyYLCIPNGBUCAQNW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.03
Rot. Bonds3

About 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 102962024) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID102962024
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CCC(C(=O)O)O2)CC1O
InChIInChI=1S/C13H22N2O5/c1-8-4-5-15(7-10(8)16)13(19)14-6-9-2-3-11(20-9)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyYLCIPNGBUCAQNW-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104959546
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
5-[(2-ethylsulfinylethylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113495133
N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
CID 128611490
5-[[(4-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103234012
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid (CID 102962024) is 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid is CC1CCN(C(=O)NCC2CCC(C(=O)O)O2)CC1O.
What is the InChIKey of 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is YLCIPNGBUCAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-4-5-15(7-10(8)16)13(19)14-6-9-2-3-11(20-9)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102962024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).