2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid

C14H21N3O4 — CID 124570069

IUPAC2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
SMILESC[C@@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1
InChIInChI=1S/C14H21N3O4/c1-10-3-2-4-11(7-10)21-9-13(18)15-12-5-6-17(16-12)8-14(19)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)(H,15,16,18)/t10-,11+/m1/s1
InChIKeyAXNLGLMZGXUTNI-MNOVXSKESA-N
MW295.34 g/mol
LogP1.50
Rot. Bonds6

About 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 124570069) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID124570069
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
SMILESC[C@@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1
InChIInChI=1S/C14H21N3O4/c1-10-3-2-4-11(7-10)21-9-13(18)15-12-5-6-17(16-12)8-14(19)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)(H,15,16,18)/t10-,11+/m1/s1
InChIKeyAXNLGLMZGXUTNI-MNOVXSKESA-N
XLogP1.50
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopentanecarboxylate
CID 25501590
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopentanecarboxylate
CID 25501593
[1-Oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopentanecarboxylate
CID 42900726
2-cyclohexyloxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47247141
(2-Methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 55035459
N-(2-butylpyrazol-3-yl)-2-(3-methylcyclohexyl)oxyacetamide
CID 60302342
(4-Methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112084
(2-Ethylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112241
(5-Methyl-2-propan-2-ylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112422
(3,3,5-Trimethylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112917
(3-Methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 62113236
(3-Ethylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 64256742

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid (CID 124570069) is 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid is C[C@@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1.
What is the InChIKey of 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is AXNLGLMZGXUTNI-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-3-2-4-11(7-10)21-9-13(18)15-12-5-6-17(16-12)8-14(19)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)(H,15,16,18)/t10-,11+/m1/s1.
What are the key properties of 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 124570069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).