5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

C11H15N3O4S — CID 55011839

IUPAC5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cscn1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C11H15N3O4S/c1-14(5-8-6-19-7-12-8)11(18)13-9(15)3-2-4-10(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyINROKDVYOJODHA-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.07
Rot. Bonds6

About 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 55011839) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID55011839
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cscn1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C11H15N3O4S/c1-14(5-8-6-19-7-12-8)11(18)13-9(15)3-2-4-10(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyINROKDVYOJODHA-UHFFFAOYSA-N
XLogP1.07
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
CID 55013682
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid
CID 129303324
5-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61420483
3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 79801832
2-hydroxy-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 107839327
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 55011839) is 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is CN(Cc1cscn1)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is INROKDVYOJODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-14(5-8-6-19-7-12-8)11(18)13-9(15)3-2-4-10(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 55011839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).