5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid

C11H15N3O5S — CID 43171960

IUPAC5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-6-5-20-11(19)14(6)4-9(16)13-7(10(17)18)2-3-8(12)15/h5,7H,2-4H2,1H3,(H2,12,15)(H,13,16)(H,17,18)
InChIKeyUOCHWJUDIQENPW-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.95
Rot. Bonds7

About 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 43171960) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID43171960
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-6-5-20-11(19)14(6)4-9(16)13-7(10(17)18)2-3-8(12)15/h5,7H,2-4H2,1H3,(H2,12,15)(H,13,16)(H,17,18)
InChIKeyUOCHWJUDIQENPW-UHFFFAOYSA-N
XLogP-0.95
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
CID 88921658
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[[(E)-prop-1-enyl]disulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
CID 89677984
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(prop-1-enyldisulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
CID 140013245
(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(1-hydroxyprop-1-enylamino)-5-oxopentanoic acid
CID 140482332
5-[[3-(Carboxymethylamino)-1-sulfanylbut-3-en-2-yl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 144054281
(4S)-4-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]-prop-1-enylamino]-5-oxopentanoic acid
CID 153325941
2-Amino-5-[[carboxy(prop-1-enylsulfanyl)methyl]amino]-5-oxopentanoic acid
CID 162865002
4-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
CID 43170166
1-[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43170945
3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43171222
6-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 43352937
4-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43353316

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid (CID 43171960) is 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid is Cc1csc(=O)n1CC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is UOCHWJUDIQENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-6-5-20-11(19)14(6)4-9(16)13-7(10(17)18)2-3-8(12)15/h5,7H,2-4H2,1H3,(H2,12,15)(H,13,16)(H,17,18).
What are the key properties of 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 301.32 g/mol, XLogP of -0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 43171960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).