3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid

C11H15N3O4S — CID 66176793

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1nc2c(s1)CCC2)C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-11(18,8(15)16)5-12-9(17)14-10-13-6-3-2-4-7(6)19-10/h18H,2-5H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyGGAAOVHJZVQWSN-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.59
Rot. Bonds4

About 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176793) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID66176793
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1nc2c(s1)CCC2)C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-11(18,8(15)16)5-12-9(17)14-10-13-6-3-2-4-7(6)19-10/h18H,2-5H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyGGAAOVHJZVQWSN-UHFFFAOYSA-N
XLogP0.59
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid with MolForge

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Related Compounds

ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
CID 60669660
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 79801356
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805203
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
(2R)-4-amino-4-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)butanoic acid
CID 107826932
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 79013354

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid (CID 66176793) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)Nc1nc2c(s1)CCC2)C(=O)O.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GGAAOVHJZVQWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-11(18,8(15)16)5-12-9(17)14-10-13-6-3-2-4-7(6)19-10/h18H,2-5H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).