2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid

C11H15N3O4S — CID 106382873

IUPAC2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2csc(=O)[nH]2)CCC1
InChIInChI=1S/C11H15N3O4S/c15-8(16)4-11(2-1-3-11)14-9(17)12-5-7-6-19-10(18)13-7/h6H,1-5H2,(H,13,18)(H,15,16)(H2,12,14,17)
InChIKeyOJSJGVDRORJKTG-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.63
Rot. Bonds5

About 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 106382873) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID106382873
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2csc(=O)[nH]2)CCC1
InChIInChI=1S/C11H15N3O4S/c15-8(16)4-11(2-1-3-11)14-9(17)12-5-7-6-19-10(18)13-7/h6H,1-5H2,(H,13,18)(H,15,16)(H2,12,14,17)
InChIKeyOJSJGVDRORJKTG-UHFFFAOYSA-N
XLogP0.63
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79848398
6-oxo-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 106381943
1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106382717
(3S)-5-methyl-3-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106382741
1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106382742
1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106382753
4-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 106382770
5-methyl-3-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106382776
1-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106382780
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 106382781
4,4-dimethyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 106382834
2-[1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 106382837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid (CID 106382873) is 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NCc2csc(=O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is OJSJGVDRORJKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-8(16)4-11(2-1-3-11)14-9(17)12-5-7-6-19-10(18)13-7/h6H,1-5H2,(H,13,18)(H,15,16)(H2,12,14,17).
What are the key properties of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 106382873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).