(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid

C12H19NO4 — CID 124593337

IUPAC(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)O1
InChIInChI=1S/C12H19NO4/c1-8-4-5-10(17-8)11(14)13-6-2-3-9(7-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8-,9+,10+/m1/s1
InChIKeyFKHFZCCDTWEFQZ-UTLUCORTSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds2

About (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 124593337) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID124593337
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)O1
InChIInChI=1S/C12H19NO4/c1-8-4-5-10(17-8)11(14)13-6-2-3-9(7-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8-,9+,10+/m1/s1
InChIKeyFKHFZCCDTWEFQZ-UTLUCORTSA-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

azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid (CID 124593337) is (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid is C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)O1.
What is the InChIKey of (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is FKHFZCCDTWEFQZ-UTLUCORTSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-4-5-10(17-8)11(14)13-6-2-3-9(7-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8-,9+,10+/m1/s1.
What are the key properties of (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-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 (3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124593337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).