1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 82838775

IUPAC1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(CN2CCC(N3CCCC3C(=O)O)CC2)O1
InChIInChI=1S/C16H28N2O3/c1-12-4-5-14(21-12)11-17-9-6-13(7-10-17)18-8-2-3-15(18)16(19)20/h12-15H,2-11H2,1H3,(H,19,20)
InChIKeyVKSAKDPLKAQOFC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 82838775) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID82838775
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(CN2CCC(N3CCCC3C(=O)O)CC2)O1
InChIInChI=1S/C16H28N2O3/c1-12-4-5-14(21-12)11-17-9-6-13(7-10-17)18-8-2-3-15(18)16(19)20/h12-15H,2-11H2,1H3,(H,19,20)
InChIKeyVKSAKDPLKAQOFC-UHFFFAOYSA-N
XLogP1.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
CID 82839087
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65161936
1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 107530315
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019770

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 82838775) is 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC1CCC(CN2CCC(N3CCCC3C(=O)O)CC2)O1.
What is the InChIKey of 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is VKSAKDPLKAQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-4-5-14(21-12)11-17-9-6-13(7-10-17)18-8-2-3-15(18)16(19)20/h12-15H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82838775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).