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

C12H19NO4 — CID 95015441

IUPAC4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H19NO4/c1-12(11(15)16)4-6-13(7-5-12)10(14)9-3-2-8-17-9/h9H,2-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyCYJCYCLRZAOVMG-VIFPVBQESA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds2

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

4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid (PubChem CID 95015441) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
PubChem CID95015441
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H19NO4/c1-12(11(15)16)4-6-13(7-5-12)10(14)9-3-2-8-17-9/h9H,2-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyCYJCYCLRZAOVMG-VIFPVBQESA-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

3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 51078971
[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
CID 82044811
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 114105213
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid (CID 95015441) is 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is CYJCYCLRZAOVMG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(11(15)16)4-6-13(7-5-12)10(14)9-3-2-8-17-9/h9H,2-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
4-methyl-1-[(2S)-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 4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95015441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).