1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid

C14H18N2O5S — CID 59735021

IUPAC1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(C2(C(=O)O)CCC(=O)C2)cs1
InChIInChI=1S/C14H18N2O5S/c1-13(2,3)21-12(20)16-11-15-9(7-22-11)14(10(18)19)5-4-8(17)6-14/h7H,4-6H2,1-3H3,(H,18,19)(H,15,16,20)
InChIKeyGYLHJOXIGXIWQC-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid

1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid (PubChem CID 59735021) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid
PubChem CID59735021
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(C2(C(=O)O)CCC(=O)C2)cs1
InChIInChI=1S/C14H18N2O5S/c1-13(2,3)21-12(20)16-11-15-9(7-22-11)14(10(18)19)5-4-8(17)6-14/h7H,4-6H2,1-3H3,(H,18,19)(H,15,16,20)
InChIKeyGYLHJOXIGXIWQC-UHFFFAOYSA-N
XLogP2.57
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]butanedioic acid
CID 18977252
3-(Azocan-1-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
CID 57839016
3-(Azepan-1-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
CID 58691155
1-[2-[[Hydroxy(methyl)boranyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid
CID 59735046
Ethyl 1-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 59735047
N-[4-(1-ethoxycarbonyl-3-oxocyclopentyl)-1,3-thiazol-2-yl]-methylboronamidic acid
CID 59735061
Ethyl 1-(2-(bis(tert-butoxycarbonyl)amino)thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 59735069
Ethane;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 142892430
4-[(2-Methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid
CID 146458016
Ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 163532984
1-(2-{[(Tert-butoxy)carbonyl]amino}-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid
CID 165893977

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid (CID 59735021) is 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)Nc1nc(C2(C(=O)O)CCC(=O)C2)cs1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid?
The InChIKey is GYLHJOXIGXIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-13(2,3)21-12(20)16-11-15-9(7-22-11)14(10(18)19)5-4-8(17)6-14/h7H,4-6H2,1-3H3,(H,18,19)(H,15,16,20).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 59735021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).