2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid

C12H18N2O5S — CID 60827962

IUPAC2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
SMILESCc1cc(CS(=O)(=O)N(CC(=O)O)C2CCCC2)no1
InChIInChI=1S/C12H18N2O5S/c1-9-6-10(13-19-9)8-20(17,18)14(7-12(15)16)11-4-2-3-5-11/h6,11H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyKPJMXBYRQSSUOF-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.14
Rot. Bonds6

About 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid

2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid (PubChem CID 60827962) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
PubChem CID60827962
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
SMILESCc1cc(CS(=O)(=O)N(CC(=O)O)C2CCCC2)no1
InChIInChI=1S/C12H18N2O5S/c1-9-6-10(13-19-9)8-20(17,18)14(7-12(15)16)11-4-2-3-5-11/h6,11H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyKPJMXBYRQSSUOF-UHFFFAOYSA-N
XLogP1.14
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
CID 107424559
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297663
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607330
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
2-[benzenesulfonyl(cyclopropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813856
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
N-ethyl-N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 115650821
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 61019091
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608211

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid (CID 60827962) is 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid is Cc1cc(CS(=O)(=O)N(CC(=O)O)C2CCCC2)no1.
What is the InChIKey of 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
The InChIKey is KPJMXBYRQSSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9-6-10(13-19-9)8-20(17,18)14(7-12(15)16)11-4-2-3-5-11/h6,11H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid has a molecular weight of 302.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid is sourced from PubChem (CID 60827962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).