2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid

C10H14N4O3 — CID 79846750

IUPAC2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2cncn2)CCC1
InChIInChI=1S/C10H14N4O3/c15-8(5-14-7-11-6-12-14)13-10(2-1-3-10)4-9(16)17/h6-7H,1-5H2,(H,13,15)(H,16,17)
InChIKeyOYZFORIMMNDSGN-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.21
Rot. Bonds5

About 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79846750) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79846750
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2cncn2)CCC1
InChIInChI=1S/C10H14N4O3/c15-8(5-14-7-11-6-12-14)13-10(2-1-3-10)4-9(16)17/h6-7H,1-5H2,(H,13,15)(H,16,17)
InChIKeyOYZFORIMMNDSGN-UHFFFAOYSA-N
XLogP-0.21
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol
CID 115928015
1-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 83213984
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64670572
1-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 12760574
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115878161
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 115339379
2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671968
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid (CID 79846750) is 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Cn2cncn2)CCC1.
What is the InChIKey of 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is OYZFORIMMNDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8(5-14-7-11-6-12-14)13-10(2-1-3-10)4-9(16)17/h6-7H,1-5H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 238.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).