methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate

C10H13N3O3 — CID 64539500

IUPACmethyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cnc[nH]1
InChIInChI=1S/C10H13N3O3/c1-16-10(15)8-3-2-4-13(8)9(14)7-5-11-6-12-7/h5-6,8H,2-4H2,1H3,(H,11,12)
InChIKeyPEMFNKBUWKRYSA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.19
Rot. Bonds2

About methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 64539500) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate
PubChem CID64539500
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cnc[nH]1
InChIInChI=1S/C10H13N3O3/c1-16-10(15)8-3-2-4-13(8)9(14)7-5-11-6-12-7/h5-6,8H,2-4H2,1H3,(H,11,12)
InChIKeyPEMFNKBUWKRYSA-UHFFFAOYSA-N
XLogP0.19
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
CID 61107734
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate
CID 110486174
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(5-amino-2H-triazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 110484841
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate (CID 64539500) is methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cnc[nH]1.
What is the InChIKey of methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is PEMFNKBUWKRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-10(15)8-3-2-4-13(8)9(14)7-5-11-6-12-7/h5-6,8H,2-4H2,1H3,(H,11,12).
What are the key properties of methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 64539500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).