methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate

C12H17N3O2 — CID 55075318

IUPACmethyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cccnc1N
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-5-3-7-15(10)8-9-4-2-6-14-11(9)13/h2,4,6,10H,3,5,7-8H2,1H3,(H2,13,14)
InChIKeyNRFGHTUUJRPUJD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.80
Rot. Bonds3

About methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate

methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 55075318) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
PubChem CID55075318
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cccnc1N
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-5-3-7-15(10)8-9-4-2-6-14-11(9)13/h2,4,6,10H,3,5,7-8H2,1H3,(H2,13,14)
InChIKeyNRFGHTUUJRPUJD-UHFFFAOYSA-N
XLogP0.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62470832
methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471191
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
methyl 1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 103886139
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate (CID 55075318) is methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cccnc1N.
What is the InChIKey of methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is NRFGHTUUJRPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)10-5-3-7-15(10)8-9-4-2-6-14-11(9)13/h2,4,6,10H,3,5,7-8H2,1H3,(H2,13,14).
What are the key properties of methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55075318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).