2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid

C16H20FN3O4S — CID 122070394

IUPAC2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)c2c[nH]c3cccc(F)c23)C1
InChIInChI=1S/C16H20FN3O4S/c1-2-20(9-15(21)22)11-6-10(7-11)19-25(23,24)14-8-18-13-5-3-4-12(17)16(13)14/h3-5,8,10-11,18-19H,2,6-7,9H2,1H3,(H,21,22)
InChIKeyLDAVDLMZLQJSDS-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.52
Rot. Bonds7

About 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122070394) has the molecular formula C16H20FN3O4S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122070394
Molecular FormulaC16H20FN3O4S
Molecular Weight369.42 g/mol
Exact Mass369.12
IUPAC Name2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)c2c[nH]c3cccc(F)c23)C1
InChIInChI=1S/C16H20FN3O4S/c1-2-20(9-15(21)22)11-6-10(7-11)19-25(23,24)14-8-18-13-5-3-4-12(17)16(13)14/h3-5,8,10-11,18-19H,2,6-7,9H2,1H3,(H,21,22)
InChIKeyLDAVDLMZLQJSDS-UHFFFAOYSA-N
XLogP1.52
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070354
2-[cyclopropylmethyl-[3-[(3-fluoro-2-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071868
2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070489
2-[ethyl-[3-(2-methylsulfonylanilino)cyclobutyl]amino]acetic acid
CID 122062146
2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071751
2-[ethyl-[3-[[3-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070515
2-[ethyl-[3-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070476
2-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 122069969
2-[[3-(1,3-benzodioxol-5-ylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070358
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[ethyl-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026653
2-[[3-[(2,5-dimethyl-3-nitrophenyl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070388

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122070394) is 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NS(=O)(=O)c2c[nH]c3cccc(F)c23)C1.
What is the InChIKey of 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is LDAVDLMZLQJSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4S/c1-2-20(9-15(21)22)11-6-10(7-11)19-25(23,24)14-8-18-13-5-3-4-12(17)16(13)14/h3-5,8,10-11,18-19H,2,6-7,9H2,1H3,(H,21,22).
What are the key properties of 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122070394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).