2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid

C12H20N4O5S — CID 122070459

IUPAC2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)c2c(N)noc2C)C1
InChIInChI=1S/C12H20N4O5S/c1-3-16(6-10(17)18)9-4-8(5-9)15-22(19,20)11-7(2)21-14-12(11)13/h8-9,15H,3-6H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyHPBLGCQLBOTBIF-UHFFFAOYSA-N
MW332.38 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122070459) has the molecular formula C12H20N4O5S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122070459
Molecular FormulaC12H20N4O5S
Molecular Weight332.38 g/mol
Exact Mass332.12
IUPAC Name2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)c2c(N)noc2C)C1
InChIInChI=1S/C12H20N4O5S/c1-3-16(6-10(17)18)9-4-8(5-9)15-22(19,20)11-7(2)21-14-12(11)13/h8-9,15H,3-6H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyHPBLGCQLBOTBIF-UHFFFAOYSA-N
XLogP-0.22
TPSA138.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[3-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070515
2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070489
2-[[3-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070401
2-[[3-[(2,5-dimethyl-3-nitrophenyl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070388
N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
CID 136543326
2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 129335580
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345
2-[ethyl-[3-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070476
2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122070372
2-[[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070354
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid (CID 122070459) is 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NS(=O)(=O)c2c(N)noc2C)C1.
What is the InChIKey of 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is HPBLGCQLBOTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5S/c1-3-16(6-10(17)18)9-4-8(5-9)15-22(19,20)11-7(2)21-14-12(11)13/h8-9,15H,3-6H2,1-2H3,(H2,13,14)(H,17,18).
What are the key properties of 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 332.38 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122070459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).