(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid

C9H12N4O5S — CID 107829369

IUPAC(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C9H12N4O5S/c1-18-7(14)3-2-5(8(15)16)11-9(17)12-6-4-10-13-19-6/h4-5H,2-3H2,1H3,(H,15,16)(H2,11,12,17)/t5-/m1/s1
InChIKeyYBXKUMPIBSCLAX-RXMQYKEDSA-N
MW288.29 g/mol
LogP0.07
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid

(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid (PubChem CID 107829369) has the molecular formula C9H12N4O5S and a molecular weight of 288.29 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
PubChem CID107829369
Molecular FormulaC9H12N4O5S
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C9H12N4O5S/c1-18-7(14)3-2-5(8(15)16)11-9(17)12-6-4-10-13-19-6/h4-5H,2-3H2,1H3,(H,15,16)(H2,11,12,17)/t5-/m1/s1
InChIKeyYBXKUMPIBSCLAX-RXMQYKEDSA-N
XLogP0.07
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(thiadiazol-5-ylcarbamoylamino)butanedioic acid
CID 114913271
(2S)-5-methoxy-5-oxo-2-(thiatriazol-5-ylcarbamoylamino)pentanoic acid
CID 107829375
(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 104983000
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107265688
3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid
CID 114913159
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107265677
(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107825786
(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828539
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid (CID 107829369) is (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid is COC(=O)CC[C@@H](NC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The InChIKey is YBXKUMPIBSCLAX-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N4O5S/c1-18-7(14)3-2-5(8(15)16)11-9(17)12-6-4-10-13-19-6/h4-5H,2-3H2,1H3,(H,15,16)(H2,11,12,17)/t5-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid has a molecular weight of 288.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107829369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).