1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C8H11N5O4 — CID 62792655

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1n[nH]c(C(=O)N2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C8H11N5O4/c9-8-10-5(11-12-8)6(15)13-2-3(14)1-4(13)7(16)17/h3-4,14H,1-2H2,(H,16,17)(H3,9,10,11,12)
InChIKeyCGVOAAIHYUHHGJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP-1.95
Rot. Bonds2

About 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 62792655) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID62792655
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1n[nH]c(C(=O)N2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C8H11N5O4/c9-8-10-5(11-12-8)6(15)13-2-3(14)1-4(13)7(16)17/h3-4,14H,1-2H2,(H,16,17)(H3,9,10,11,12)
InChIKeyCGVOAAIHYUHHGJ-UHFFFAOYSA-N
XLogP-1.95
TPSA145.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62794715
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62687823
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113447652
(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104742427
(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62794481
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471886
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 62792655) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Nc1n[nH]c(C(=O)N2CC(O)CC2C(=O)O)n1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CGVOAAIHYUHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4/c9-8-10-5(11-12-8)6(15)13-2-3(14)1-4(13)7(16)17/h3-4,14H,1-2H2,(H,16,17)(H3,9,10,11,12).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of -1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62792655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).