2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid

C10H16N4O3 — CID 107461255

IUPAC2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
SMILESCCC(C)NC(=O)Cn1cc(CC(=O)O)nn1
InChIInChI=1S/C10H16N4O3/c1-3-7(2)11-9(15)6-14-5-8(12-13-14)4-10(16)17/h5,7H,3-4,6H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyGJSASDGVPXKOQY-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.18
Rot. Bonds6

About 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid

2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid (PubChem CID 107461255) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
PubChem CID107461255
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
SMILESCCC(C)NC(=O)Cn1cc(CC(=O)O)nn1
InChIInChI=1S/C10H16N4O3/c1-3-7(2)11-9(15)6-14-5-8(12-13-14)4-10(16)17/h5,7H,3-4,6H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyGJSASDGVPXKOQY-UHFFFAOYSA-N
XLogP-0.18
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 110210992
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
(2S,3R)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 155809964
2-[1-(2-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461469
1-[2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288710
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
2-(1-pentan-3-yltriazol-4-yl)acetic acid
CID 107461337
5-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]pentanoic acid
CID 104538700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid (CID 107461255) is 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid is CCC(C)NC(=O)Cn1cc(CC(=O)O)nn1.
What is the InChIKey of 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid?
The InChIKey is GJSASDGVPXKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-7(2)11-9(15)6-14-5-8(12-13-14)4-10(16)17/h5,7H,3-4,6H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid?
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).