2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid

C13H20N4O3 — CID 81162044

IUPAC2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1nn(C)c(NCC2(CC(=O)O)CCC2)c1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-8-10(11(14)20)12(17(2)16-8)15-7-13(4-3-5-13)6-9(18)19/h15H,3-7H2,1-2H3,(H2,14,20)(H,18,19)
InChIKeyZFSUISMRMKSNAJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.88
Rot. Bonds6

About 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162044) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81162044
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1nn(C)c(NCC2(CC(=O)O)CCC2)c1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-8-10(11(14)20)12(17(2)16-8)15-7-13(4-3-5-13)6-9(18)19/h15H,3-7H2,1-2H3,(H2,14,20)(H,18,19)
InChIKeyZFSUISMRMKSNAJ-UHFFFAOYSA-N
XLogP0.88
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid
CID 64702333
2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 63756788
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 103968377
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 113307943
7-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]heptanoic acid
CID 63757140
2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
CID 65226774
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165071
1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
CID 63757179
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81160973
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid (CID 81162044) is 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid is Cc1nn(C)c(NCC2(CC(=O)O)CCC2)c1C(N)=O.
What is the InChIKey of 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is ZFSUISMRMKSNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-10(11(14)20)12(17(2)16-8)15-7-13(4-3-5-13)6-9(18)19/h15H,3-7H2,1-2H3,(H2,14,20)(H,18,19).
What are the key properties of 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).