2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid

C11H17N3O4S — CID 54929813

IUPAC2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H17N3O4S/c1-8-10(6-12-13-8)19(17,18)14(7-11(15)16)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyDDVVCUIALVJSNY-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.74
Rot. Bonds5

About 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid

2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid (PubChem CID 54929813) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
PubChem CID54929813
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H17N3O4S/c1-8-10(6-12-13-8)19(17,18)14(7-11(15)16)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyDDVVCUIALVJSNY-UHFFFAOYSA-N
XLogP0.74
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid (CID 54929813) is 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid is Cc1[nH]ncc1S(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The InChIKey is DDVVCUIALVJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-10(6-12-13-8)19(17,18)14(7-11(15)16)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 54929813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).