5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid

C11H14N2O5S — CID 129303324

IUPAC5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(Cc1cscn1)C(=O)O
InChIInChI=1S/C11H14N2O5S/c14-9(2-1-3-10(15)16)13-8(11(17)18)4-7-5-19-6-12-7/h5-6,8H,1-4H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyRGMZMZLNYNVURG-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.51
Rot. Bonds8

About 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid

5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid (PubChem CID 129303324) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid
PubChem CID129303324
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(Cc1cscn1)C(=O)O
InChIInChI=1S/C11H14N2O5S/c14-9(2-1-3-10(15)16)13-8(11(17)18)4-7-5-19-6-12-7/h5-6,8H,1-4H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyRGMZMZLNYNVURG-UHFFFAOYSA-N
XLogP0.51
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
CID 15018091
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917
(2S)-2-(4-carboxybutanoylamino)butanedioic acid
CID 87693716
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 98583925
4-[[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
CID 95290073
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid;naphthalen-2-amine
CID 161392027
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928

Frequently Asked Questions

What is the IUPAC name of 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid (CID 129303324) is 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(Cc1cscn1)C(=O)O.
What is the InChIKey of 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is RGMZMZLNYNVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-9(2-1-3-10(15)16)13-8(11(17)18)4-7-5-19-6-12-7/h5-6,8H,1-4H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid?
5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 129303324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).