2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid

C12H19NO4 — CID 106742253

IUPAC2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C12H19NO4/c1-8-7-9(12(15)16)4-5-13(8)11(14)10-3-2-6-17-10/h8-10H,2-7H2,1H3,(H,15,16)/t8?,9?,10-/m1/s1
InChIKeyJWOKKQRHPYGUDU-UDNWOFFPSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds2

About 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid

2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid (PubChem CID 106742253) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
PubChem CID106742253
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C12H19NO4/c1-8-7-9(12(15)16)4-5-13(8)11(14)10-3-2-6-17-10/h8-10H,2-7H2,1H3,(H,15,16)/t8?,9?,10-/m1/s1
InChIKeyJWOKKQRHPYGUDU-UDNWOFFPSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 130834478
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
CID 106742878
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
1-(1,1-dioxothiane-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741917
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid (CID 106742253) is 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)[C@H]1CCCO1.
What is the InChIKey of 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is JWOKKQRHPYGUDU-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-7-9(12(15)16)4-5-13(8)11(14)10-3-2-6-17-10/h8-10H,2-7H2,1H3,(H,15,16)/t8?,9?,10-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106742253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).