3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid

C11H17N5O3 — CID 79316716

IUPAC3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H17N5O3/c1-11(2,3-9(17)18)13-10(19)8-6-16(15-14-8)7-4-12-5-7/h6-7,12H,3-5H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyPFNJYGZLAZVSOS-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.59
Rot. Bonds5

About 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid

3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 79316716) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
PubChem CID79316716
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H17N5O3/c1-11(2,3-9(17)18)13-10(19)8-6-16(15-14-8)7-4-12-5-7/h6-7,12H,3-5H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyPFNJYGZLAZVSOS-UHFFFAOYSA-N
XLogP-0.59
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
CID 79326027
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid (CID 79316716) is 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is PFNJYGZLAZVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-11(2,3-9(17)18)13-10(19)8-6-16(15-14-8)7-4-12-5-7/h6-7,12H,3-5H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid?
3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 267.29 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 79316716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).