(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid

C11H13NO5S — CID 107820841

IUPAC(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C11H13NO5S/c1-17-9(13)5-4-7(11(15)16)12-10(14)8-3-2-6-18-8/h2-3,6-7H,4-5H2,1H3,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyTUNHSZVCRBYIPY-SSDOTTSWSA-N
MW271.29 g/mol
LogP0.88
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid

(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid (PubChem CID 107820841) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
PubChem CID107820841
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C11H13NO5S/c1-17-9(13)5-4-7(11(15)16)12-10(14)8-3-2-6-18-8/h2-3,6-7H,4-5H2,1H3,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyTUNHSZVCRBYIPY-SSDOTTSWSA-N
XLogP0.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 106931658
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786809
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787407
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820298
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
(2S)-5-methoxy-5-oxo-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoic acid
CID 107820470
(2R)-5-methoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107820540
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid
CID 71402009

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid (CID 107820841) is (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid is COC(=O)CC[C@@H](NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
The InChIKey is TUNHSZVCRBYIPY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-17-9(13)5-4-7(11(15)16)12-10(14)8-3-2-6-18-8/h2-3,6-7H,4-5H2,1H3,(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 107820841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).