(2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid

C12H17N3O3 — CID 123722121

IUPAC(2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCc1nc(OC[C@@H]2CCCN2C(=O)O)ccc1N
InChIInChI=1S/C12H17N3O3/c1-8-10(13)4-5-11(14-8)18-7-9-3-2-6-15(9)12(16)17/h4-5,9H,2-3,6-7,13H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyVKOFGLRIHAXHTO-VIFPVBQESA-N
MW251.29 g/mol
LogP1.49
Rot. Bonds3

About (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid

(2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 123722121) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID123722121
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCc1nc(OC[C@@H]2CCCN2C(=O)O)ccc1N
InChIInChI=1S/C12H17N3O3/c1-8-10(13)4-5-11(14-8)18-7-9-3-2-6-15(9)12(16)17/h4-5,9H,2-3,6-7,13H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyVKOFGLRIHAXHTO-VIFPVBQESA-N
XLogP1.49
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;6-chloro-2-methyl-3-nitropyridine
CID 160549892
(2S)-2-[(6-methoxy-5-nitro-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 68826905
tert-butyl (2S)-2-[(5-amino-6-methoxy-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66883332
(2S)-2-[(5-amino-2-methoxyphenoxy)methyl]pyrrolidine-1-carboxylic acid
CID 69082020
(2S)-2-[[5-amino-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 123182921
(2R)-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylic acid
CID 22867973
tert-butyl (2S)-2-[(5-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172833
tert-butyl (2R)-2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 86329405
tert-butyl (2S)-2-[(5-nitro-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172835
(2S)-2-[(7-ethenylisoquinolin-1-yl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 91321294
2-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 90310791
tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid (CID 123722121) is (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid is Cc1nc(OC[C@@H]2CCCN2C(=O)O)ccc1N.
What is the InChIKey of (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is VKOFGLRIHAXHTO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-10(13)4-5-11(14-8)18-7-9-3-2-6-15(9)12(16)17/h4-5,9H,2-3,6-7,13H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid?
(2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-6-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 123722121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).