1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid

C10H15N3O2 — CID 130575386

IUPAC1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(C(N)C2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-6-7(5-12-13)8(11)10(9(14)15)3-2-4-10/h5-6,8H,2-4,11H2,1H3,(H,14,15)
InChIKeyILWNSNVLRFYYFG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds3

About 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid

1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 130575386) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID130575386
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(C(N)C2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-6-7(5-12-13)8(11)10(9(14)15)3-2-4-10/h5-6,8H,2-4,11H2,1H3,(H,14,15)
InChIKeyILWNSNVLRFYYFG-UHFFFAOYSA-N
XLogP0.67
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070877
1-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436333
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
1-[amino-(1-methylpyrazol-4-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069951
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115448781
[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol
CID 79135001
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290613
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 113279805

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid (CID 130575386) is 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid is Cn1cc(C(N)C2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ILWNSNVLRFYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-7(5-12-13)8(11)10(9(14)15)3-2-4-10/h5-6,8H,2-4,11H2,1H3,(H,14,15).
What are the key properties of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130575386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).