[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate

C10H16N2O3 — CID 57156307

IUPAC[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OC(=O)[C@@H]1CCCN1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)15-10(14)8-4-2-6-12-8/h7-8,11-12H,1-6H2/t7-,8-/m0/s1
InChIKeyFHGPXMBHNURJJW-YUMQZZPRSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds2

About [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate

[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate (PubChem CID 57156307) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
PubChem CID57156307
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OC(=O)[C@@H]1CCCN1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)15-10(14)8-4-2-6-12-8/h7-8,11-12H,1-6H2/t7-,8-/m0/s1
InChIKeyFHGPXMBHNURJJW-YUMQZZPRSA-N
XLogP-0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-sulfanylcyclopentanecarbonyl) (2S)-pyrrolidine-2-carboxylate
CID 88705086
propanethioyl (2S)-pyrrolidine-2-carboxylate
CID 88795719
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
CID 123220286
CID 123220286
2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid
CID 174964673
CID 175049313
CID 175049313
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethenyl pyrrolidine-2-carboxylate
CID 77217277
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate (CID 57156307) is [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate is O=C(OC(=O)[C@@H]1CCCN1)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate?
The InChIKey is FHGPXMBHNURJJW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)15-10(14)8-4-2-6-12-8/h7-8,11-12H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate?
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate has a molecular weight of 212.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 57156307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).