5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid

C9H12N2O4S — CID 106379556

IUPAC5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
SMILESO=C(O)CCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H12N2O4S/c12-7(2-1-3-8(13)14)10-4-6-5-16-9(15)11-6/h5H,1-4H2,(H,10,12)(H,11,15)(H,13,14)
InChIKeyPHLCKWJZASUGOU-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.31
Rot. Bonds6

About 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid

5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid (PubChem CID 106379556) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
PubChem CID106379556
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
SMILESO=C(O)CCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H12N2O4S/c12-7(2-1-3-8(13)14)10-4-6-5-16-9(15)11-6/h5H,1-4H2,(H,10,12)(H,11,15)(H,13,14)
InChIKeyPHLCKWJZASUGOU-UHFFFAOYSA-N
XLogP0.31
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381342
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
2-(2-hydroxyphenyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775150
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
2-methyl-4-oxo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-2-propan-2-ylbutanoic acid
CID 106379532
1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid
CID 114181752
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 106382873
2-(1H-indol-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775067
4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid (CID 106379556) is 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid is O=C(O)CCCC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The InChIKey is PHLCKWJZASUGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-7(2-1-3-8(13)14)10-4-6-5-16-9(15)11-6/h5H,1-4H2,(H,10,12)(H,11,15)(H,13,14).
What are the key properties of 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid?
5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 106379556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).