1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid

C13H21NO5 — CID 103136020

IUPAC1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
SMILESCC1CCC(CN2CCC(C(=O)O)C(C(=O)O)C2)O1
InChIInChI=1S/C13H21NO5/c1-8-2-3-9(19-8)6-14-5-4-10(12(15)16)11(7-14)13(17)18/h8-11H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyRJIJMNFAOUARBV-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.66
Rot. Bonds4

About 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid

1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid (PubChem CID 103136020) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
PubChem CID103136020
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
SMILESCC1CCC(CN2CCC(C(=O)O)C(C(=O)O)C2)O1
InChIInChI=1S/C13H21NO5/c1-8-2-3-9(19-8)6-14-5-4-10(12(15)16)11(7-14)13(17)18/h8-11H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyRJIJMNFAOUARBV-UHFFFAOYSA-N
XLogP0.66
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
CID 82839087
5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62301014
2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103139885
1-octylpiperidine-3,4-dicarboxylic acid
CID 115918660

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid (CID 103136020) is 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid is CC1CCC(CN2CCC(C(=O)O)C(C(=O)O)C2)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is RJIJMNFAOUARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-8-2-3-9(19-8)6-14-5-4-10(12(15)16)11(7-14)13(17)18/h8-11H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid?
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 103136020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).