2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid

C12H17N3O3 — CID 81165316

IUPAC2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Cn2cccn2)CCC1
InChIInChI=1S/C12H17N3O3/c16-10(8-15-6-2-5-14-15)13-9-12(3-1-4-12)7-11(17)18/h2,5-6H,1,3-4,7-9H2,(H,13,16)(H,17,18)
InChIKeyCEPHMQPHOGPNSP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.64
Rot. Bonds6

About 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81165316) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81165316
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Cn2cccn2)CCC1
InChIInChI=1S/C12H17N3O3/c16-10(8-15-6-2-5-14-15)13-9-12(3-1-4-12)7-11(17)18/h2,5-6H,1,3-4,7-9H2,(H,13,16)(H,17,18)
InChIKeyCEPHMQPHOGPNSP-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
N-[(2-methylpyrrolidin-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 114761752
N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 113400450
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
CID 138011796
N-[1-(aminomethyl)cyclopentyl]-2-pyrazol-1-ylacetamide;dihydrochloride
CID 119567226
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 107302127
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165176

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid (CID 81165316) is 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)Cn2cccn2)CCC1.
What is the InChIKey of 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is CEPHMQPHOGPNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10(8-15-6-2-5-14-15)13-9-12(3-1-4-12)7-11(17)18/h2,5-6H,1,3-4,7-9H2,(H,13,16)(H,17,18).
What are the key properties of 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).