(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid

C14H15N3O4 — CID 99701713

IUPAC(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCc1noc2ncc(C(=O)N3CCC[C@H]3C(=O)O)cc12
InChIInChI=1S/C14H15N3O4/c1-2-10-9-6-8(7-15-12(9)21-16-10)13(18)17-5-3-4-11(17)14(19)20/h6-7,11H,2-5H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyOSAZOXLXWQBWSE-NSHDSACASA-N
MW289.29 g/mol
LogP1.47
Rot. Bonds3

About (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 99701713) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID99701713
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCc1noc2ncc(C(=O)N3CCC[C@H]3C(=O)O)cc12
InChIInChI=1S/C14H15N3O4/c1-2-10-9-6-8(7-15-12(9)21-16-10)13(18)17-5-3-4-11(17)14(19)20/h6-7,11H,2-5H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyOSAZOXLXWQBWSE-NSHDSACASA-N
XLogP1.47
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxamide
CID 87043859
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560029
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768550
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355794
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995580
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 79372237
[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 97006079
2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 99701713) is (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid is CCc1noc2ncc(C(=O)N3CCC[C@H]3C(=O)O)cc12.
What is the InChIKey of (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OSAZOXLXWQBWSE-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-10-9-6-8(7-15-12(9)21-16-10)13(18)17-5-3-4-11(17)14(19)20/h6-7,11H,2-5H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 99701713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).