(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid

C10H13N3O5S — CID 107820329

IUPAC(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)c1snnc1C)C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-5-8(19-13-12-5)9(15)11-6(10(16)17)3-4-7(14)18-2/h6H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t6-/m0/s1
InChIKeyDJAJQRQJBHMQQA-LURJTMIESA-N
MW287.30 g/mol
LogP-0.02
Rot. Bonds6

About (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107820329) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107820329
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)c1snnc1C)C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-5-8(19-13-12-5)9(15)11-6(10(16)17)3-4-7(14)18-2/h6H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t6-/m0/s1
InChIKeyDJAJQRQJBHMQQA-LURJTMIESA-N
XLogP-0.02
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820929
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
(2S)-5-methoxy-5-oxo-2-(thiatriazol-5-ylcarbamoylamino)pentanoic acid
CID 107829375
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786590
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 106183126
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid (CID 107820329) is (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)c1snnc1C)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is DJAJQRQJBHMQQA-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-5-8(19-13-12-5)9(15)11-6(10(16)17)3-4-7(14)18-2/h6H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 287.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107820329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).