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

C13H22N2O4 — CID 106740322

IUPAC5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CC(C(=O)NCC2CCC(C(=O)O)O2)CCN1
InChIInChI=1S/C13H22N2O4/c1-8-6-9(4-5-14-8)12(16)15-7-10-2-3-11(19-10)13(17)18/h8-11,14H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyPTZPNOMZMHUFTQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.12
Rot. Bonds4

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

5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 106740322) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID106740322
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CC(C(=O)NCC2CCC(C(=O)O)O2)CCN1
InChIInChI=1S/C13H22N2O4/c1-8-6-9(4-5-14-8)12(16)15-7-10-2-3-11(19-10)13(17)18/h8-11,14H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyPTZPNOMZMHUFTQ-UHFFFAOYSA-N
XLogP0.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 114226212
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
CID 106892442
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104855853
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
CID 107295958
2-methyl-N-(thiolan-2-ylmethyl)piperidine-4-carboxamide
CID 106740363
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid (CID 106740322) is 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid is CC1CC(C(=O)NCC2CCC(C(=O)O)O2)CCN1.
What is the InChIKey of 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is PTZPNOMZMHUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8-6-9(4-5-14-8)12(16)15-7-10-2-3-11(19-10)13(17)18/h8-11,14H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106740322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).