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

C11H17N3O4S — CID 106382868

IUPAC2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-2-3-7(9(15)16)4-12-10(17)13-5-8-6-19-11(18)14-8/h6-7H,2-5H2,1H3,(H,14,18)(H,15,16)(H2,12,13,17)
InChIKeyUTGCXGFRJFDCFP-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.74
Rot. Bonds7

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

2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid (PubChem CID 106382868) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
PubChem CID106382868
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-2-3-7(9(15)16)4-12-10(17)13-5-8-6-19-11(18)14-8/h6-7H,2-5H2,1H3,(H,14,18)(H,15,16)(H2,12,13,17)
InChIKeyUTGCXGFRJFDCFP-UHFFFAOYSA-N
XLogP0.74
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382853
2-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 106382835
2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65221570
(2R)-4-methylsulfanyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 114181716
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222804
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid (CID 106382868) is 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NCc1csc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is UTGCXGFRJFDCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-3-7(9(15)16)4-12-10(17)13-5-8-6-19-11(18)14-8/h6-7H,2-5H2,1H3,(H,14,18)(H,15,16)(H2,12,13,17).
What are the key properties of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid?
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 106382868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).