(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid

C11H18N2O4 — CID 102945045

IUPAC(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESNC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C11H18N2O4/c12-7-3-5-13(6-4-7)10(14)8-1-2-9(17-8)11(15)16/h7-9H,1-6,12H2,(H,15,16)/t8-,9+/m0/s1
InChIKeyMSDGHCZRDOMLLJ-DTWKUNHWSA-N
MW242.27 g/mol
LogP-0.43
Rot. Bonds2

About (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102945045) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102945045
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESNC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C11H18N2O4/c12-7-3-5-13(6-4-7)10(14)8-1-2-9(17-8)11(15)16/h7-9H,1-6,12H2,(H,15,16)/t8-,9+/m0/s1
InChIKeyMSDGHCZRDOMLLJ-DTWKUNHWSA-N
XLogP-0.43
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102944528
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
5-(4-propylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687439
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
(2R,5S)-5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944525

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid (CID 102945045) is (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid is NC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1.
What is the InChIKey of (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is MSDGHCZRDOMLLJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-7-3-5-13(6-4-7)10(14)8-1-2-9(17-8)11(15)16/h7-9H,1-6,12H2,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).