5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid

C10H9N5O3 — CID 168692424

IUPAC5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C10H9N5O3/c16-6-1-5(10(17)18)2-15(6)9-7-8(12-3-11-7)13-4-14-9/h3-5H,1-2H2,(H,17,18)(H,11,12,13,14)
InChIKeyMFOJAYMKMXBKOC-UHFFFAOYSA-N
MW247.21 g/mol
LogP-0.21
Rot. Bonds2

About 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 168692424) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID168692424
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C10H9N5O3/c16-6-1-5(10(17)18)2-15(6)9-7-8(12-3-11-7)13-4-14-9/h3-5H,1-2H2,(H,17,18)(H,11,12,13,14)
InChIKeyMFOJAYMKMXBKOC-UHFFFAOYSA-N
XLogP-0.21
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylate
CID 168695495
1-(2-chloro-7H-purin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692060
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
(3aR,6aS)-2-methyl-5-(7H-purin-6-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione;formic acid
CID 154910539
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697
tert-butyl N-[(3S)-1-(7H-purin-6-yl)pyrrolidin-3-yl]carbamate
CID 133380916
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid (CID 168692424) is 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is MFOJAYMKMXBKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-6-1-5(10(17)18)2-15(6)9-7-8(12-3-11-7)13-4-14-9/h3-5H,1-2H2,(H,17,18)(H,11,12,13,14).
What are the key properties of 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).