3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid

C11H17N5O3 — CID 62792156

IUPAC3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid
SMILESNc1n[nH]c(C(=O)N2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C11H17N5O3/c12-11-13-9(14-15-11)10(19)16-6-2-1-3-7(16)4-5-8(17)18/h7H,1-6H2,(H,17,18)(H3,12,13,14,15)
InChIKeyLHYGUWWVKMRTGT-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.25
Rot. Bonds4

About 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 62792156) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID62792156
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid
SMILESNc1n[nH]c(C(=O)N2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C11H17N5O3/c12-11-13-9(14-15-11)10(19)16-6-2-1-3-7(16)4-5-8(17)18/h7H,1-6H2,(H,17,18)(H3,12,13,14,15)
InChIKeyLHYGUWWVKMRTGT-UHFFFAOYSA-N
XLogP0.25
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62806655
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
CID 62806690
3-[(2R)-1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 126429843
(3-amino-1H-1,2,4-triazol-5-yl)-(azocan-1-yl)methanone
CID 62807162
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
CID 144535044
3-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]propanoic acid
CID 125118170
3-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 62800180
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid (CID 62792156) is 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid is Nc1n[nH]c(C(=O)N2CCCCC2CCC(=O)O)n1.
What is the InChIKey of 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is LHYGUWWVKMRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c12-11-13-9(14-15-11)10(19)16-6-2-1-3-7(16)4-5-8(17)18/h7H,1-6H2,(H,17,18)(H3,12,13,14,15).
What are the key properties of 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62792156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).