methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate

C10H16N2O3 — CID 174918587

IUPACmethyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)C1CNC1
InChIInChI=1S/C10H16N2O3/c1-15-10(14)8-3-2-4-12(8)9(13)7-5-11-6-7/h7-8,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyGYIHFCNPSMQKQX-QMMMGPOBSA-N
MW212.25 g/mol
LogP-0.63
Rot. Bonds2

About methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 174918587) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID174918587
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)C1CNC1
InChIInChI=1S/C10H16N2O3/c1-15-10(14)8-3-2-4-12(8)9(13)7-5-11-6-7/h7-8,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyGYIHFCNPSMQKQX-QMMMGPOBSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
methyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423341
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 60939361
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate (CID 174918587) is methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)C1CNC1.
What is the InChIKey of methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is GYIHFCNPSMQKQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-15-10(14)8-3-2-4-12(8)9(13)7-5-11-6-7/h7-8,11H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 212.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 174918587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).