2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid

C10H16N4O3 — CID 115348234

IUPAC2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Cn1ccnn1
InChIInChI=1S/C10H16N4O3/c1-10(2,3)14(7-9(16)17)8(15)6-13-5-4-11-12-13/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyGYTGUAOLKLLKJP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.01
Rot. Bonds4

About 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid

2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid (PubChem CID 115348234) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid
PubChem CID115348234
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Cn1ccnn1
InChIInChI=1S/C10H16N4O3/c1-10(2,3)14(7-9(16)17)8(15)6-13-5-4-11-12-13/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyGYTGUAOLKLLKJP-UHFFFAOYSA-N
XLogP-0.01
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(1H-1,2,3-triazol-1-yl)propanoic acid hydrochloride
CID 165944896
2-methyl-2-(1H-1,2,3-triazol-1-yl)propanoic acid
CID 82512091
2-[3-(Triazol-1-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258889
2-[[2-(Triazol-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113291689
3,3,3-Trifluoro-2-methyl-2-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 113291691
2-(4-(tributylstannyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 68789957
1-(4-Tert-butyl-1,4-diazepan-1-yl)-2-(triazol-1-yl)ethanone
CID 89967910
2-(3-Propan-2-yltriazol-1-ium-1-yl)acetic acid
CID 123275409
2-[Methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 28789980
Methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate
CID 43431247
2-[4-[3-(Triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid
CID 43521412
2-[Cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 43655882

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid (CID 115348234) is 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)Cn1ccnn1.
What is the InChIKey of 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is GYTGUAOLKLLKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,3)14(7-9(16)17)8(15)6-13-5-4-11-12-13/h4-5H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid?
2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 115348234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).