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

C13H19N3O3 — CID 138585402

IUPACmethyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCn1cccc(N)c1=O
InChIInChI=1S/C13H19N3O3/c1-19-13(18)11-5-3-6-15(11)8-9-16-7-2-4-10(14)12(16)17/h2,4,7,11H,3,5-6,8-9,14H2,1H3
InChIKeySDTXDKKWPFAVJE-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.07
Rot. Bonds4

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

methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 138585402) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
PubChem CID138585402
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCn1cccc(N)c1=O
InChIInChI=1S/C13H19N3O3/c1-19-13(18)11-5-3-6-15(11)8-9-16-7-2-4-10(14)12(16)17/h2,4,7,11H,3,5-6,8-9,14H2,1H3
InChIKeySDTXDKKWPFAVJE-UHFFFAOYSA-N
XLogP0.07
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,2-Dihydro-2-oxo-3-pyridinyl)carbonyl]-L-alanyl-L-proline ethyl ester
CID 9862536
ethyl (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679348
ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679354
ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679356
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54419282
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975131
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975141
(2S)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
CID 138585431
(2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
CID 138585479
Methyl 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
CID 138585628
methyl (2R)-1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
CID 138585631
Methyl (2-(3-amino-2-oxopyridin-1(2H)-yl)ethyl)-D-prolinate
CID 138601205

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate (CID 138585402) is methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CCn1cccc(N)c1=O.
What is the InChIKey of methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is SDTXDKKWPFAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-13(18)11-5-3-6-15(11)8-9-16-7-2-4-10(14)12(16)17/h2,4,7,11H,3,5-6,8-9,14H2,1H3.
What are the key properties of methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 138585402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).