(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid

C13H22N2O4 — CID 102945114

IUPAC(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C13H22N2O4/c1-15-6-4-9(5-7-15)8-14-12(16)10-2-3-11(19-10)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyVDGLXKRCSPETKB-WDEREUQCSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds4

About (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945114) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102945114
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C13H22N2O4/c1-15-6-4-9(5-7-15)8-14-12(16)10-2-3-11(19-10)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyVDGLXKRCSPETKB-WDEREUQCSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945243
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
(2R,5S)-5-(but-2-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945677
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944416
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102945114) is (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid is CN1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1.
What is the InChIKey of (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is VDGLXKRCSPETKB-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-15-6-4-9(5-7-15)8-14-12(16)10-2-3-11(19-10)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).