methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate

C14H18ClN3O3 — CID 43623806

IUPACmethyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3O3/c1-17(12-6-5-10(15)8-16-12)9-13(19)18-7-3-4-11(18)14(20)21-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyYRHRRAZXEYLUNA-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.34
Rot. Bonds4

About methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate (PubChem CID 43623806) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate
PubChem CID43623806
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Namemethyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3O3/c1-17(12-6-5-10(15)8-16-12)9-13(19)18-7-3-4-11(18)14(20)21-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyYRHRRAZXEYLUNA-UHFFFAOYSA-N
XLogP1.34
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43589524
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone
CID 113375668
methyl 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409923
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
CID 95151458
methyl 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylate
CID 43422559
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95350952
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 166391031

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate (CID 43623806) is methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CN(C)c1ccc(Cl)cn1.
What is the InChIKey of methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate?
The InChIKey is YRHRRAZXEYLUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-17(12-6-5-10(15)8-16-12)9-13(19)18-7-3-4-11(18)14(20)21-2/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43623806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).