2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid

C12H18N2O2 — CID 112569172

IUPAC2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(CC(C(=O)O)C2CCCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-14-8-9(7-13-14)6-11(12(15)16)10-4-2-3-5-10/h7-8,10-11H,2-6H2,1H3,(H,15,16)
InChIKeyYBUKLGFUZVDJDY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.85
Rot. Bonds4

About 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid

2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid (PubChem CID 112569172) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
PubChem CID112569172
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(CC(C(=O)O)C2CCCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-14-8-9(7-13-14)6-11(12(15)16)10-4-2-3-5-10/h7-8,10-11H,2-6H2,1H3,(H,15,16)
InChIKeyYBUKLGFUZVDJDY-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65398921
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CID 107045186
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
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(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
CID 29061487
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822001
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
CID 115821833
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid (CID 112569172) is 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid is Cn1cc(CC(C(=O)O)C2CCCC2)cn1.
What is the InChIKey of 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid?
The InChIKey is YBUKLGFUZVDJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-8-9(7-13-14)6-11(12(15)16)10-4-2-3-5-10/h7-8,10-11H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid?
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 112569172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).